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

Systemtic Name: N-[(1S,2S)-2-methylcyclohexyl]-4-thiophen-2-ylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide CAS Name: N-[(1S,2S)-2-methylcyclohexyl]-4-thiophen-2-ylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[(1S,2S)-2-methylcyclohexyl]-4-thiophen-2-ylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[(1S,2S)-2-methylcyclohexyl]-4-(2-thienylsulfonyl)piperazine-1-carbothioamide Formula: C16H25N3O2S3 MolecularWeight: 387.5836

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C16H25N3O2S3/c1-13-5-2-3-6-14(13)17-16(22)18-8-10-19(11-9-18)24(20,21)15-7-4-12-23-15/h4,7,12-14H,2-3,5-6,8-11H2,1H3,(H,17,22)/t13-,14-/m0/s1