N-[(1S)-1-cyclohexyl-3-(4-methoxyphenyl)-3-oxidanylidene-propyl]benzenecarbothioamide

Systemtic Name: N-[(1S)-1-cyclohexyl-3-(4-methoxyphenyl)-3-oxidanylidene-propyl]benzenecarbothioamide Openeye Name: N-[(1S)-1-cyclohexyl-3-(4-methoxyphenyl)-3-oxo-propyl]benzenecarbothioamide CAS Name: N-[(1S)-1-cyclohexyl-3-(4-methoxyphenyl)-3-oxopropyl]benzenecarbothioamide IUPAC Name: N-[(1S)-1-cyclohexyl-3-(4-methoxyphenyl)-3-oxopropyl]benzenecarbothioamide Traditional Name: N-[(1S)-1-cyclohexyl-3-keto-3-(4-methoxyphenyl)propyl]thiobenzamide Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C2CCCCC2)NC(=S)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[C@@H](C2CCCCC2)NC(=S)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO2S/c1-26-20-14-12-18(13-15-20)22(25)16-21(17-8-4-2-5-9-17)24-23(27)19-10-6-3-7-11-19/h3,6-7,10-15,17,21H,2,4-5,8-9,16H2,1H3,(H,24,27)/t21-/m0/s1