methyl 2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3S/c1-30-21(28)19(15-16-7-3-2-4-8-16)25-23(31)26-13-11-17(12-14-26)27-20-10-6-5-9-18(20)24-22(27)29/h2-10,17,19H,11-15H2,1H3,(H,24,29)(H,25,31)