3-[bis(2-phenylethanoyl)carbamothioylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[bis(2-phenylethanoyl)carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[bis(2-phenylacetyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[bis(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[bis(2-phenylacetyl)carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[bis(2-phenylacetyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)N(C(=O)CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3

InChI

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