ethyl 2-[methyl-[3-[methyl(phenyl)amino]-3-sulfanylidene-propanoyl]amino]-5-methylsulfanyl-benzoate

Systemtic Name: ethyl 2-[methyl-[3-[methyl(phenyl)amino]-3-sulfanylidene-propanoyl]amino]-5-methylsulfanyl-benzoate Openeye Name: ethyl 2-[methyl-[3-(N-methylanilino)-3-thioxo-propanoyl]amino]-5-methylsulfanyl-benzoate CAS Name: 2-[methyl-[3-(N-methylanilino)-1-oxo-3-sulfanylidenepropyl]amino]-5-(methylthio)benzoic acid ethyl ester IUPAC Name: ethyl 2-[methyl-[3-(N-methylanilino)-3-sulfanylidenepropanoyl]amino]-5-methylsulfanylbenzoate Traditional Name: 2-[methyl-[3-(N-methylanilino)-3-thioxo-propanoyl]amino]-5-(methylthio)benzoic acid ethyl ester Formula: C21H24N2O3S2 MolecularWeight: 416.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)SC)N(C)C(=O)CC(=S)N(C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)SC)N(C)C(=O)CC(=S)N(C)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S2/c1-5-26-21(25)17-13-16(28-4)11-12-18(17)23(3)19(24)14-20(27)22(2)15-9-7-6-8-10-15/h6-13H,5,14H2,1-4H3