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

Systemtic Name: methyl N-[[2-(2-methylpropanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(2-methylpropanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(2-methylpropanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-(isobutyrylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4S/c1-12(2)18(25)21-15-10-9-14(17(24)13-7-5-4-6-8-13)11-16(15)22-19(28)23-20(26)27-3/h4-12H,1-3H3,(H,21,25)(H2,22,23,26,28)