2-[2-(2-acetamidophenyl)sulfanylethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(2-acetamidophenyl)sulfanylethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(2-acetamidophenyl)sulfanylacetyl]amino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-acetamidophenyl)thio]-1-oxoethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(2-acetamidophenyl)sulfanylacetyl]amino]-N-benzyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(2-acetamidophenyl)thio]acetyl]amino]-N-benzyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c1-17(30)28-20-12-6-8-14-22(20)33-16-23(31)29-26-24(19-11-5-7-13-21(19)34-26)25(32)27-15-18-9-3-2-4-10-18/h2-4,6,8-10,12,14H,5,7,11,13,15-16H2,1H3,(H,27,32)(H,28,30)(H,29,31)