propan-2-yl 2-[(4-dimethylaminophenyl)carbamothioylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[(4-dimethylaminophenyl)carbamothioylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(4-dimethylaminophenyl)carbamothioylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(4-dimethylaminophenyl)carbamothioylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(4-dimethylaminophenyl)thiocarbamoylamino]-4-(methylthio)butyric acid isopropyl ester Formula: C17H27N3O2S2 MolecularWeight: 369.54518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC(C)OC(=O)C(CCSC)NC(=S)NC1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C17H27N3O2S2/c1-12(2)22-16(21)15(10-11-24-5)19-17(23)18-13-6-8-14(9-7-13)20(3)4/h6-9,12,15H,10-11H2,1-5H3,(H2,18,19,23)