N-[(hexanoylamino)carbamothioyl]-4-phenyl-benzamide

Systemtic Name: N-[(hexanoylamino)carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[(hexanoylamino)carbamothioyl]-4-phenyl-benzamide CAS Name: N-[(1-oxohexylhydrazo)-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[(hexanoylamino)carbamothioyl]-4-phenylbenzamide Traditional Name: N-[(caproylamino)thiocarbamoyl]-4-phenyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NNC(=S)NC(=O)C1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O2S/c1-2-3-5-10-18(24)22-23-20(26)21-19(25)17-13-11-16(12-14-17)15-8-6-4-7-9-15/h4,6-9,11-14H,2-3,5,10H2,1H3,(H,22,24)(H2,21,23,25,26)