butyl 4-(2-phenylsulfanylethanoylcarbamothioylamino)benzoate

Systemtic Name: butyl 4-(2-phenylsulfanylethanoylcarbamothioylamino)benzoate Openeye Name: butyl 4-[(2-phenylsulfanylacetyl)carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(phenylthio)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-phenylsulfanylacetyl)carbamothioylamino]benzoate Traditional Name: 4-[[2-(phenylthio)acetyl]thiocarbamoylamino]benzoic acid butyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CSC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C20H22N2O3S2/c1-2-3-13-25-19(24)15-9-11-16(12-10-15)21-20(26)22-18(23)14-27-17-7-5-4-6-8-17/h4-12H,2-3,13-14H2,1H3,(H2,21,22,23,26)