propyl 4-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(3-propoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(3-propoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3-propoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(3-propoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-propoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OCCC

InChI

InChI=1S/C21H24N2O4S/c1-3-12-26-18-7-5-6-16(14-18)19(24)23-21(28)22-17-10-8-15(9-11-17)20(25)27-13-4-2/h5-11,14H,3-4,12-13H2,1-2H3,(H2,22,23,24,28)