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

Systemtic Name: methyl 2-[[4-[3-(2-diethylaminoethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]carbothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-[3-(2-diethylaminoethyl)-2-oxo-benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[3-(2-diethylaminoethyl)-2-oxo-1-benzimidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(2-diethylaminoethyl)-2-oxobenzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[3-(2-diethylaminoethyl)-2-keto-benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C29H39N5O3S MolecularWeight: 537.71666

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCN(CC)CCN1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C(=S)NC(CC4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C29H39N5O3S/c1-4-31(5-2)19-20-33-25-13-9-10-14-26(25)34(29(33)36)23-15-17-32(18-16-23)28(38)30-24(27(35)37-3)21-22-11-7-6-8-12-22/h6-14,23-24H,4-5,15-21H2,1-3H3,(H,30,38)