3-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate

Systemtic Name: 3-[(3,4-dimethylphenyl)carbonylcarbamothioylamino]-4-methoxy-benzoate Openeye Name: 3-[(3,4-dimethylbenzoyl)carbamothioylamino]-4-methoxy-benzoate CAS Name: 3-[[[[(3,4-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoate IUPAC Name: 3-[(3,4-dimethylbenzoyl)carbamothioylamino]-4-methoxybenzoate Traditional Name: 3-[(3,4-dimethylbenzoyl)thiocarbamoylamino]-4-methoxy-benzoate Formula: C18H17N2O4S- MolecularWeight: 357.40358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C(=O)[O-])OC)C

InChI

InChI=1S/C18H18N2O4S/c1-10-4-5-12(8-11(10)2)16(21)20-18(25)19-14-9-13(17(22)23)6-7-15(14)24-3/h4-9H,1-3H3,(H,22,23)(H2,19,20,21,25)/p-1