2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)methylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[(4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[(4-ketocyclohexa-2,5-dien-1-ylidene)methylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC=C3C=CC(=O)C=C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC=C3C=CC(=O)C=C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S/c26-18-12-10-17(11-13-18)15-25-23-21(19-8-4-5-9-20(19)28-23)22(27)24-14-16-6-2-1-3-7-16/h1-3,6-7,10-13,15,25H,4-5,8-9,14H2,(H,24,27)