methyl N-[[2-(3-methylbutanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(3-methylbutanoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(3-methylbutanoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(3-methylbutanoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-(isovalerylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-13(2)11-18(25)22-16-10-9-15(19(26)14-7-5-4-6-8-14)12-17(16)23-20(29)24-21(27)28-3/h4-10,12-13H,11H2,1-3H3,(H,22,25)(H2,23,24,27,29)