2-[2-[phenylcarbonyl-(phenylmethyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[phenylcarbonyl-(phenylmethyl)amino]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[benzoyl(benzyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[benzoyl-(phenylmethyl)amino]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[benzoyl(benzyl)amino]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[benzoyl(benzyl)amino]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN(CC3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C25H25N3O3S/c26-23(30)22-19-13-7-8-14-20(19)32-24(22)27-21(29)16-28(15-17-9-3-1-4-10-17)25(31)18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2,(H2,26,30)(H,27,29)