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

Systemtic Name: 2-methoxyethyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 2-methoxyethyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[2-[[cyclohexyl(methyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-[cyclohexyl(methyl)carbamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid 2-methoxyethyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O5S/c1-25(16-8-4-3-5-9-16)21(28)17-10-6-7-11-18(17)23-22(31)24-19(26)12-13-20(27)30-15-14-29-2/h6-7,10-11,16H,3-5,8-9,12-15H2,1-2H3,(H2,23,24,26,31)