4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxidanylidene-1,4-thiazepane-3-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxidanylidene-1,4-thiazepane-3-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-cyclohexyl-3-methyl-5-oxo-1,4-thiazepane-3-carboxamide Traditional Name: N-cyclohexyl-5-keto-3-methyl-4-piperonyl-1,4-thiazepane-3-carboxamide Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSCCC(=O)N1CC2=CC3=C(C=C2)OCO3)C(=O)NC4CCCCC4

Isomeric SMILES

CC1(CSCCC(=O)N1CC2=CC3=C(C=C2)OCO3)C(=O)NC4CCCCC4

InChI

InChI=1S/C21H28N2O4S/c1-21(20(25)22-16-5-3-2-4-6-16)13-28-10-9-19(24)23(21)12-15-7-8-17-18(11-15)27-14-26-17/h7-8,11,16H,2-6,9-10,12-14H2,1H3,(H,22,25)