2-(indol-3-ylidenemethylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-(indol-3-ylidenemethylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-(indol-3-ylidenemethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-(3-indolylidenemethylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-(indol-3-ylidenemethylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-(indol-3-ylidenemethylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H23N3OS MolecularWeight: 413.53462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC=C3C=NC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC=C3C=NC4=CC=CC=C43)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C25H23N3OS/c29-24(27-14-17-8-2-1-3-9-17)23-20-11-5-7-13-22(20)30-25(23)28-16-18-15-26-21-12-6-4-10-19(18)21/h1-4,6,8-10,12,15-16,28H,5,7,11,13-14H2,(H,27,29)