N-[3-(2,2-diphenylethanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-(2,2-diphenylethanoylcarbamothioylamino)-2-methyl-phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methyl-phenyl]cyclopropanecarboxamide CAS Name: N-[2-methyl-3-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[(2,2-diphenylacetyl)carbamothioylamino]-2-methylphenyl]cyclopropanecarboxamide Traditional Name: N-[3-[(2,2-diphenylacetyl)thiocarbamoylamino]-2-methyl-phenyl]cyclopropanecarboxamide Formula: C26H25N3O2S MolecularWeight: 443.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4CC4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C4CC4

InChI

InChI=1S/C26H25N3O2S/c1-17-21(27-24(30)20-15-16-20)13-8-14-22(17)28-26(32)29-25(31)23(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,20,23H,15-16H2,1H3,(H,27,30)(H2,28,29,31,32)