3-[bis(2-phenylethanoyl)carbamothioylamino]-2-methyl-benzoic acid

Systemtic Name: 3-[bis(2-phenylethanoyl)carbamothioylamino]-2-methyl-benzoic acid Openeye Name: 3-[bis(2-phenylacetyl)carbamothioylamino]-2-methyl-benzoic acid CAS Name: 3-[[[bis(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-2-methylbenzoic acid IUPAC Name: 3-[bis(2-phenylacetyl)carbamothioylamino]-2-methylbenzoic acid Traditional Name: 3-[bis(2-phenylacetyl)thiocarbamoylamino]-2-methyl-benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3)C(=O)O

InChI

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