methyl N-[[2-(4-methylpentanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(4-methylpentanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(4-methylpentanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-[(4-methyl-1-oxopentyl)amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(4-methylpentanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-(4-methylpentanoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-14(2)9-12-19(26)23-17-11-10-16(20(27)15-7-5-4-6-8-15)13-18(17)24-21(30)25-22(28)29-3/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,23,26)(H2,24,25,28,30)