methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C20H27N3O4S/c1-23(14-8-4-3-5-9-14)19(26)15-10-6-7-11-16(15)21-20(28)22-17(24)12-13-18(25)27-2/h6-7,10-11,14H,3-5,8-9,12-13H2,1-2H3,(H2,21,22,24,28)