methyl 4-methyl-3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: methyl 4-methyl-3-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoate CAS Name: 4-methyl-3-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 3-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]-4-methyl-benzoic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=S)NC2=CC3=C(C=C2)C(=CC(=O)O3)C

InChI

InChI=1S/C20H18N2O4S/c1-11-4-5-13(19(24)25-3)9-16(11)22-20(27)21-14-6-7-15-12(2)8-18(23)26-17(15)10-14/h4-10H,1-3H3,(H2,21,22,27)