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

Systemtic Name: 2-(3-benzamidopropanoylamino)-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-(3-benzamidopropanoylamino)-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(3-benzamido-1-oxopropyl)amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-(3-benzamidopropanoylamino)-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(3-benzamidopropanoylamino)-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H27N3O3S MolecularWeight: 461.57588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S/c30-22(15-16-27-24(31)19-11-5-2-6-12-19)29-26-23(20-13-7-8-14-21(20)33-26)25(32)28-17-18-9-3-1-4-10-18/h1-6,9-12H,7-8,13-17H2,(H,27,31)(H,28,32)(H,29,30)