N-(4-chlorophenyl)-2-(4-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(4-chlorophenyl)-2-(4-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(4-chlorophenyl)-2-(4-phenylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(4-chlorophenyl)-2-[(1-oxo-4-phenylbutyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(4-chlorophenyl)-2-(4-phenylbutanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-(4-chlorophenyl)-2-(4-phenylbutanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H25ClN2O2S MolecularWeight: 452.9962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCCC3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN2O2S/c26-18-13-15-19(16-14-18)27-24(30)23-20-10-4-5-11-21(20)31-25(23)28-22(29)12-6-9-17-7-2-1-3-8-17/h1-3,7-8,13-16H,4-6,9-12H2,(H,27,30)(H,28,29)