methyl 6-[[4-(phenylcarbamoyl)piperidin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-(phenylcarbamoyl)piperidin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-(phenylcarbamoyl)piperidine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[anilino(oxo)methyl]-1-piperidinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-(phenylcarbamoyl)piperidine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-(phenylcarbamoyl)piperidine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C20H29N3O3S/c1-26-18(24)10-6-3-7-13-21-20(27)23-14-11-16(12-15-23)19(25)22-17-8-4-2-5-9-17/h2,4-5,8-9,16H,3,6-7,10-15H2,1H3,(H,21,27)(H,22,25)