N-[2-(cyclohexen-1-yl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-(4-mesylbenzyl)-1,4-diazepane-1-carbothioamide Formula: C22H33N3O2S2 MolecularWeight: 435.64632

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCCC3=CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C22H33N3O2S2/c1-29(26,27)21-10-8-20(9-11-21)18-24-14-5-15-25(17-16-24)22(28)23-13-12-19-6-3-2-4-7-19/h6,8-11H,2-5,7,12-18H2,1H3,(H,23,28)