2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[[3-[[bis(2-oxidanylpropyl)amino]methyl]phenyl]carbonylamino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-1-benzothiophene-3-carboxamide Openeye Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-(3,4-dimethylphenyl)methyleneamino]benzothiophene-3-carboxamide CAS Name: 2-[[[3-[[bis(2-hydroxypropyl)amino]methyl]phenyl]-oxomethyl]amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-(3,4-dimethylphenyl)methylideneamino]-1-benzothiophene-3-carboxamide Traditional Name: 2-[[3-[[bis(2-hydroxypropyl)amino]methyl]benzoyl]amino]-N-[(E)-(3,4-dimethylbenzylidene)amino]benzothiophene-3-carboxamide Formula: C32H36N4O4S MolecularWeight: 572.71764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=NNC(=O)C2=C(SC3=CC=CC=C32)NC(=O)C4=CC(=CC=C4)CN(CC(C)O)CC(C)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(SC3=CC=CC=C32)NC(=O)C4=CC(=CC=C4)CN(CC(C)O)CC(C)O)C

InChI

InChI=1S/C32H36N4O4S/c1-20-12-13-24(14-21(20)2)16-33-35-31(40)29-27-10-5-6-11-28(27)41-32(29)34-30(39)26-9-7-8-25(15-26)19-36(17-22(3)37)18-23(4)38/h5-16,22-23,37-38H,17-19H2,1-4H3,(H,34,39)(H,35,40)/b33-16+