N-[3,4-bis(oxidanyl)-1-phenyl-butyl]benzenecarbothioamide

Systemtic Name: N-[3,4-bis(oxidanyl)-1-phenyl-butyl]benzenecarbothioamide Openeye Name: N-(3,4-dihydroxy-1-phenyl-butyl)benzenecarbothioamide CAS Name: N-(3,4-dihydroxy-1-phenylbutyl)benzenecarbothioamide IUPAC Name: N-(3,4-dihydroxy-1-phenylbutyl)benzenecarbothioamide Traditional Name: N-(3,4-dihydroxy-1-phenyl-butyl)thiobenzamide Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(CO)O)NC(=S)C2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(CO)O)NC(=S)C2=CC=CC=C2

InChI

InChI=1S/C17H19NO2S/c19-12-15(20)11-16(13-7-3-1-4-8-13)18-17(21)14-9-5-2-6-10-14/h1-10,15-16,19-20H,11-12H2,(H,18,21)