N-[(1S,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C18H26N4O2S MolecularWeight: 362.48964

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O2S/c1-14-4-2-3-5-17(14)19-18(25)21-12-10-20(11-13-21)15-6-8-16(9-7-15)22(23)24/h6-9,14,17H,2-5,10-13H2,1H3,(H,19,25)/t14-,17-/m0/s1