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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-3-4-10-18(25)22-16-12-11-15(19(26)14-8-6-5-7-9-14)13-17(16)23-20(29)24-21(27)28-2/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,25)(H2,23,24,27,29)