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

Systemtic Name: methyl 2-[[4-[3-(3-azanylpropyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]carbothioylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[[4-[3-(3-aminopropyl)-2-oxo-benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[4-[3-(3-aminopropyl)-2-oxo-1-benzimidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-[3-(3-aminopropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenylpropanoate Traditional Name: 2-[[4-[3-(3-aminopropyl)-2-keto-benzimidazol-1-yl]piperidine-1-carbothioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H33N5O3S MolecularWeight: 495.63692

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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)CCCN

Isomeric SMILES

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

InChI

InChI=1S/C26H33N5O3S/c1-34-24(32)21(18-19-8-3-2-4-9-19)28-25(35)29-16-12-20(13-17-29)31-23-11-6-5-10-22(23)30(26(31)33)15-7-14-27/h2-6,8-11,20-21H,7,12-18,27H2,1H3,(H,28,35)