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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(cyclopropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(cyclopropyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(cyclohexylamino)-oxomethyl]-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclohexylcarbamoyl(cyclopropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[cyclohexylcarbamoyl(cyclopropyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

Isomeric SMILES

C1CCC(CC1)NC(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C25H31N3O4S/c29-24(16-28(20-9-10-20)25(30)26-19-5-2-1-3-6-19)27(15-21-7-4-12-33-21)14-18-8-11-22-23(13-18)32-17-31-22/h4,7-8,11-13,19-20H,1-3,5-6,9-10,14-17H2,(H,26,30)