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

Systemtic Name: propyl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 4-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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