N-(2-aminophenyl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-(pyridin-3-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2-aminophenyl)-6-[2-oxidanylidene-2-[(phenylmethyl)amino]-1-(pyridin-3-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide Openeye Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-oxo-1-(3-pyridylmethylamino)ethyl]benzothiophene-2-carboxamide CAS Name: N-(2-aminophenyl)-6-[2-oxo-2-[(phenylmethyl)amino]-1-(3-pyridinylmethylamino)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-oxo-1-(pyridin-3-ylmethylamino)ethyl]-1-benzothiophene-2-carboxamide Traditional Name: N-(2-aminophenyl)-6-[2-(benzylamino)-2-keto-1-(3-pyridylmethylamino)ethyl]benzothiophene-2-carboxamide Formula: C30H27N5O2S MolecularWeight: 521.63268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C(C2=CC3=C(C=C2)C=C(S3)C(=O)NC4=CC=CC=C4N)NCC5=CN=CC=C5

InChI

InChI=1S/C30H27N5O2S/c31-24-10-4-5-11-25(24)35-29(36)27-15-22-12-13-23(16-26(22)38-27)28(33-19-21-9-6-14-32-17-21)30(37)34-18-20-7-2-1-3-8-20/h1-17,28,33H,18-19,31H2,(H,34,37)(H,35,36)