4-(azepan-1-ylsulfonyl)-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]benzamide

Systemtic Name: 4-(azepan-1-ylsulfonyl)-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]benzamide Openeye Name: 4-(azepan-1-ylsulfonyl)-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]benzamide CAS Name: 4-(1-azepanylsulfonyl)-N-[[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-(azepan-1-ylsulfonyl)-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamothioyl]benzamide Traditional Name: 4-(azepan-1-ylsulfonyl)-N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]thiocarbamoyl]benzamide Formula: C22H33N3O3S2 MolecularWeight: 451.64572

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C)NC(=S)NC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C22H33N3O3S2/c1-16-8-7-9-20(17(16)2)23-22(29)24-21(26)18-10-12-19(13-11-18)30(27,28)25-14-5-3-4-6-15-25/h10-13,16-17,20H,3-9,14-15H2,1-2H3,(H2,23,24,26,29)/t16-,17+,20-/m0/s1