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

Systemtic Name: ethyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C2CCCCC2

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NC1=CC=CC=C1C(=O)N(C)C2CCCCC2

InChI

InChI=1S/C21H29N3O4S/c1-3-28-19(26)14-13-18(25)23-21(29)22-17-12-8-7-11-16(17)20(27)24(2)15-9-5-4-6-10-15/h7-8,11-12,15H,3-6,9-10,13-14H2,1-2H3,(H2,22,23,25,29)