N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(E)-(3,4-dimethylphenyl)methyleneamino]-2-[[3-[[4-(1-piperidyl)-1-piperidyl]methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[oxo-[3-[[4-(1-piperidinyl)-1-piperidinyl]methyl]phenyl]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]benzoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(E)-(3,4-dimethylbenzylidene)amino]-2-[[3-[(4-piperidinopiperidino)methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C36H45N5O2S MolecularWeight: 611.8398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=NNC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=CC=C4)CN5CCC(CC5)N6CCCCC6)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=CC=C4)CN5CCC(CC5)N6CCCCC6)C

InChI

InChI=1S/C36H45N5O2S/c1-25-13-14-27(21-26(25)2)23-37-39-35(43)33-31-11-4-5-12-32(31)44-36(33)38-34(42)29-10-8-9-28(22-29)24-40-19-15-30(16-20-40)41-17-6-3-7-18-41/h8-10,13-14,21-23,30H,3-7,11-12,15-20,24H2,1-2H3,(H,38,42)(H,39,43)/b37-23+