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

Systemtic Name: methyl 2-[[4-[2-oxidanylidene-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidin-1-yl]carbothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-[2-oxo-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[2-oxo-3-[3-(1-pyrrolidinyl)propyl]-1-benzimidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[2-oxo-3-(3-pyrrolidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[2-keto-3-(3-pyrrolidinopropyl)benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C30H39N5O3S MolecularWeight: 549.72736

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCC5

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=S)N2CCC(CC2)N3C4=CC=CC=C4N(C3=O)CCCN5CCCC5

InChI

InChI=1S/C30H39N5O3S/c1-38-28(36)25(22-23-10-3-2-4-11-23)31-29(39)33-20-14-24(15-21-33)35-27-13-6-5-12-26(27)34(30(35)37)19-9-18-32-16-7-8-17-32/h2-6,10-13,24-25H,7-9,14-22H2,1H3,(H,31,39)