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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S/c1-3-4-6-11-19(26)23-17-13-12-16(20(27)15-9-7-5-8-10-15)14-18(17)24-21(30)25-22(28)29-2/h5,7-10,12-14H,3-4,6,11H2,1-2H3,(H,23,26)(H2,24,25,28,30)