N-(2-acetamidoethyl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanamide

Systemtic Name: N-(2-acetamidoethyl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanamide Openeye Name: N-(2-acetamidoethyl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propanamide CAS Name: N-(2-acetamidoethyl)-2-[[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanamide IUPAC Name: N-(2-acetamidoethyl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenylpropanamide Traditional Name: N-(2-acetamidoethyl)-2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propionamide Formula: C26H32N6O3S MolecularWeight: 508.63568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC(=O)C(CC1=CC=CC=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

Isomeric SMILES

CC(=O)NCCNC(=O)C(CC1=CC=CC=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4NC3=O

InChI

InChI=1S/C26H32N6O3S/c1-18(33)27-13-14-28-24(34)22(17-19-7-3-2-4-8-19)30-26(36)31-15-11-20(12-16-31)32-23-10-6-5-9-21(23)29-25(32)35/h2-10,20,22H,11-17H2,1H3,(H,27,33)(H,28,34)(H,29,35)(H,30,36)