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

Systemtic Name: methyl 3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbothioylamino]propanoate Openeye Name: methyl 3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]-sulfanylidenemethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-indol-3-yl)-2-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[4-(2-keto-3H-benzimidazol-1-yl)piperidine-1-carbothioyl]amino]propionic acid methyl ester Formula: C25H27N5O3S MolecularWeight: 477.57858

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

Isomeric SMILES

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=S)N3CCC(CC3)N4C5=CC=CC=C5NC4=O

InChI

InChI=1S/C25H27N5O3S/c1-33-23(31)21(14-16-15-26-19-7-3-2-6-18(16)19)28-25(34)29-12-10-17(11-13-29)30-22-9-5-4-8-20(22)27-24(30)32/h2-9,15,17,21,26H,10-14H2,1H3,(H,27,32)(H,28,34)