N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-[[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazin-1-yl]methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[[3-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]phenyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[[3-[[4-(2-hydroxyethyl)piperazin-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-(2-hydroxyethyl)piperazino]methyl]benzoyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C32H39N5O3S MolecularWeight: 573.74876

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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)CN5CCN(CC5)CCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(SC3=C2CCCC3)NC(=O)C4=CC(=CC=C4)CN5CCN(CC5)CCO)C

InChI

InChI=1S/C32H39N5O3S/c1-22-10-11-24(18-23(22)2)20-33-35-31(40)29-27-8-3-4-9-28(27)41-32(29)34-30(39)26-7-5-6-25(19-26)21-37-14-12-36(13-15-37)16-17-38/h5-7,10-11,18-20,38H,3-4,8-9,12-17,21H2,1-2H3,(H,34,39)(H,35,40)/b33-20+