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

Systemtic Name: methyl N-[[2-(butylcarbamoylamino)-5-(phenylcarbonyl)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[5-benzoyl-2-(butylcarbamoylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[5-benzoyl-2-[[butylamino(oxo)methyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[5-benzoyl-2-(butylcarbamoylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[5-benzoyl-2-(butylcarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4S/c1-3-4-12-22-19(27)23-16-11-10-15(18(26)14-8-6-5-7-9-14)13-17(16)24-20(30)25-21(28)29-2/h5-11,13H,3-4,12H2,1-2H3,(H2,22,23,27)(H2,24,25,28,30)