N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclohexylmethylamino)-2-oxo-ethyl]sulfanyl-benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzamide Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-ethyl]thio]-N-piperonyl-benzamide Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H28N2O4S/c27-23(25-13-17-6-2-1-3-7-17)15-31-22-9-5-4-8-19(22)24(28)26-14-18-10-11-20-21(12-18)30-16-29-20/h4-5,8-12,17H,1-3,6-7,13-16H2,(H,25,27)(H,26,28)