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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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