methyl 2-[bis(2-phenylethanoyl)carbamothioylamino]benzoate

Systemtic Name: methyl 2-[bis(2-phenylethanoyl)carbamothioylamino]benzoate Openeye Name: methyl 2-[bis(2-phenylacetyl)carbamothioylamino]benzoate CAS Name: 2-[[[bis(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[bis(2-phenylacetyl)carbamothioylamino]benzoate Traditional Name: 2-[bis(2-phenylacetyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H22N2O4S/c1-31-24(30)20-14-8-9-15-21(20)26-25(32)27(22(28)16-18-10-4-2-5-11-18)23(29)17-19-12-6-3-7-13-19/h2-15H,16-17H2,1H3,(H,26,32)