N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(isobutyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(cyclohexylamino)-oxomethyl]-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[cyclohexylcarbamoyl(isobutyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NC4CCCCC4

Isomeric SMILES

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)NC4CCCCC4

InChI

InChI=1S/C26H35N3O4S/c1-19(2)14-29(26(31)27-21-7-4-3-5-8-21)17-25(30)28(16-22-9-6-12-34-22)15-20-10-11-23-24(13-20)33-18-32-23/h6,9-13,19,21H,3-5,7-8,14-18H2,1-2H3,(H,27,31)