[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [2-[[(2,4-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [2-[(2,4-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)C)C

InChI

InChI=1S/C21H22N2O5S/c1-13-8-9-17(14(2)10-13)22-21(27)23-19(25)11-28-20(26)16-6-4-5-7-18(16)29-12-15(3)24/h4-10H,11-12H2,1-3H3,(H2,22,23,25,27)