3-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-2-methyl-benzoate

Systemtic Name: 3-[(3,4-dichlorophenyl)carbonylcarbamothioylamino]-2-methyl-benzoate Openeye Name: 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-2-methyl-benzoate CAS Name: 3-[[[[(3,4-dichlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-methylbenzoate IUPAC Name: 3-[(3,4-dichlorobenzoyl)carbamothioylamino]-2-methylbenzoate Traditional Name: 3-[(3,4-dichlorobenzoyl)thiocarbamoylamino]-2-methyl-benzoate Formula: C16H11Cl2N2O3S- MolecularWeight: 382.24114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C16H12Cl2N2O3S/c1-8-10(15(22)23)3-2-4-13(8)19-16(24)20-14(21)9-5-6-11(17)12(18)7-9/h2-7H,1H3,(H,22,23)(H2,19,20,21,24)/p-1