N-[4-(2,2-diphenylpropanoylcarbamothioylamino)-2-methoxy-phenyl]-2-methyl-propanamide

Systemtic Name: N-[4-(2,2-diphenylpropanoylcarbamothioylamino)-2-methoxy-phenyl]-2-methyl-propanamide Openeye Name: N-[4-(2,2-diphenylpropanoylcarbamothioylamino)-2-methoxy-phenyl]-2-methyl-propanamide CAS Name: N-[2-methoxy-4-[[[(1-oxo-2,2-diphenylpropyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-methylpropanamide IUPAC Name: N-[4-(2,2-diphenylpropanoylcarbamothioylamino)-2-methoxyphenyl]-2-methylpropanamide Traditional Name: N-[4-(2,2-diphenylpropanoylthiocarbamoylamino)-2-methoxy-phenyl]-2-methyl-propionamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29N3O3S/c1-18(2)24(31)29-22-16-15-21(17-23(22)33-4)28-26(34)30-25(32)27(3,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-18H,1-4H3,(H,29,31)(H2,28,30,32,34)