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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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