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

Systemtic Name: butyl 4-[(4-methyl-2-oxidanylidene-chromen-7-yl)carbamothioylamino]benzoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 4-[(4-methyl-2-oxochromen-7-yl)carbamothioylamino]benzoate Traditional Name: 4-[(2-keto-4-methyl-chromen-7-yl)thiocarbamoylamino]benzoic acid butyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-3-4-11-27-21(26)15-5-7-16(8-6-15)23-22(29)24-17-9-10-18-14(2)12-20(25)28-19(18)13-17/h5-10,12-13H,3-4,11H2,1-2H3,(H2,23,24,29)