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

Systemtic Name: N-[(1R,3R)-4-chloranyl-3-oxidanyl-1-phenyl-butyl]benzenecarbothioamide Openeye Name: N-[(1R,3R)-4-chloro-3-hydroxy-1-phenyl-butyl]benzenecarbothioamide CAS Name: N-[(1R,3R)-4-chloro-3-hydroxy-1-phenylbutyl]benzenecarbothioamide IUPAC Name: N-[(1R,3R)-4-chloro-3-hydroxy-1-phenylbutyl]benzenecarbothioamide Traditional Name: N-[(1R,3R)-4-chloro-3-hydroxy-1-phenyl-butyl]thiobenzamide Formula: C17H18ClNOS MolecularWeight: 319.84892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)[C@@H](C[C@H](CCl)O)NC(=S)C2=CC=CC=C2

InChI

InChI=1S/C17H18ClNOS/c18-12-15(20)11-16(13-7-3-1-4-8-13)19-17(21)14-9-5-2-6-10-14/h1-10,15-16,20H,11-12H2,(H,19,21)/t15-,16-/m1/s1