N-[(1S)-3-methyl-1-[(1R)-2-oxidanylidenecyclohexyl]butyl]benzenecarbothioamide

Systemtic Name: N-[(1S)-3-methyl-1-[(1R)-2-oxidanylidenecyclohexyl]butyl]benzenecarbothioamide Openeye Name: N-[(1S)-3-methyl-1-[(1R)-2-oxocyclohexyl]butyl]benzenecarbothioamide CAS Name: N-[(1S)-3-methyl-1-[(1R)-2-oxocyclohexyl]butyl]benzenecarbothioamide IUPAC Name: N-[(1S)-3-methyl-1-[(1R)-2-oxocyclohexyl]butyl]benzenecarbothioamide Traditional Name: N-[(1S)-1-[(1R)-2-ketocyclohexyl]-3-methyl-butyl]thiobenzamide Formula: C18H25NOS MolecularWeight: 303.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1CCCCC1=O)NC(=S)C2=CC=CC=C2

Isomeric SMILES

CC(C)C[C@@H]([C@H]1CCCCC1=O)NC(=S)C2=CC=CC=C2

InChI

InChI=1S/C18H25NOS/c1-13(2)12-16(15-10-6-7-11-17(15)20)19-18(21)14-8-4-3-5-9-14/h3-5,8-9,13,15-16H,6-7,10-12H2,1-2H3,(H,19,21)/t15-,16+/m1/s1