N-(4-methoxy-3-oxidanyl-1-phenyl-butyl)benzenecarbothioamide

Systemtic Name: N-(4-methoxy-3-oxidanyl-1-phenyl-butyl)benzenecarbothioamide Openeye Name: N-(3-hydroxy-4-methoxy-1-phenyl-butyl)benzenecarbothioamide CAS Name: N-(3-hydroxy-4-methoxy-1-phenylbutyl)benzenecarbothioamide IUPAC Name: N-(3-hydroxy-4-methoxy-1-phenylbutyl)benzenecarbothioamide Traditional Name: N-(3-hydroxy-4-methoxy-1-phenyl-butyl)thiobenzamide Formula: C18H21NO2S MolecularWeight: 315.42984

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Descriptors Computed from Structure

Canonical SMILES:

COCC(CC(C1=CC=CC=C1)NC(=S)C2=CC=CC=C2)O

Isomeric SMILES

COCC(CC(C1=CC=CC=C1)NC(=S)C2=CC=CC=C2)O

InChI

InChI=1S/C18H21NO2S/c1-21-13-16(20)12-17(14-8-4-2-5-9-14)19-18(22)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3,(H,19,22)