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

Systemtic Name: propan-2-yl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: isopropyl 4-[(4-methyl-2-oxo-chromen-7-yl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methyl-2-oxo-1-benzopyran-7-yl)amino]-sulfanylidenemethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzoic acid isopropyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)OC(C)C

InChI

InChI=1S/C21H20N2O4S/c1-12(2)26-20(25)14-4-6-15(7-5-14)22-21(28)23-16-8-9-17-13(3)10-19(24)27-18(17)11-16/h4-12H,1-3H3,(H2,22,23,28)