methyl 6-[[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-[(2-hydroxyphenyl)carbamoyl]piperidin-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-[(2-hydroxyphenyl)carbamoyl]piperidine-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[(2-hydroxyanilino)-oxomethyl]-1-piperidinyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(2-hydroxyphenyl)carbamoyl]piperidine-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-[(2-hydroxyphenyl)carbamoyl]piperidine-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2O

Isomeric SMILES

COC(=O)CCCCCNC(=S)N1CCC(CC1)C(=O)NC2=CC=CC=C2O

InChI

InChI=1S/C20H29N3O4S/c1-27-18(25)9-3-2-6-12-21-20(28)23-13-10-15(11-14-23)19(26)22-16-7-4-5-8-17(16)24/h4-5,7-8,15,24H,2-3,6,9-14H2,1H3,(H,21,28)(H,22,26)