N-[4-(2,2-diphenylethanoylcarbamothioylamino)phenyl]-3-methyl-butanamide

Systemtic Name: N-[4-(2,2-diphenylethanoylcarbamothioylamino)phenyl]-3-methyl-butanamide Openeye Name: N-[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[4-[[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: N-[4-[(2,2-diphenylacetyl)carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[(2,2-diphenylacetyl)thiocarbamoylamino]phenyl]-3-methyl-butyramide Formula: C26H27N3O2S MolecularWeight: 445.57648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C26H27N3O2S/c1-18(2)17-23(30)27-21-13-15-22(16-14-21)28-26(32)29-25(31)24(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,18,24H,17H2,1-2H3,(H,27,30)(H2,28,29,31,32)