ethyl 5-chloranyl-2-[[3-[(4-chlorophenyl)-methyl-amino]-3-sulfanylidene-propanoyl]-methyl-amino]-3-methyl-benzoate

Systemtic Name: ethyl 5-chloranyl-2-[[3-[(4-chlorophenyl)-methyl-amino]-3-sulfanylidene-propanoyl]-methyl-amino]-3-methyl-benzoate Openeye Name: ethyl 5-chloro-2-[[3-(4-chloro-N-methyl-anilino)-3-thioxo-propanoyl]-methyl-amino]-3-methyl-benzoate CAS Name: 5-chloro-2-[[3-(4-chloro-N-methylanilino)-1-oxo-3-sulfanylidenepropyl]-methylamino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[[3-(4-chloro-N-methylanilino)-3-sulfanylidenepropanoyl]-methylamino]-3-methylbenzoate Traditional Name: 5-chloro-2-[[3-(4-chloro-N-methyl-anilino)-3-thioxo-propanoyl]-methyl-amino]-3-methyl-benzoic acid ethyl ester Formula: C21H22Cl2N2O3S MolecularWeight: 453.38198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1N(C)C(=O)CC(=S)N(C)C2=CC=C(C=C2)Cl)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1N(C)C(=O)CC(=S)N(C)C2=CC=C(C=C2)Cl)C)Cl

InChI

InChI=1S/C21H22Cl2N2O3S/c1-5-28-21(27)17-11-15(23)10-13(2)20(17)25(4)18(26)12-19(29)24(3)16-8-6-14(22)7-9-16/h6-11H,5,12H2,1-4H3