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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-[(phenylmethyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzylcarbamoyl(cyclopropyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-[oxo-[(phenylmethyl)amino]methyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[benzylcarbamoyl(cyclopropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[benzylcarbamoyl(cyclopropyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H27N3O4S/c30-25(17-29(21-9-10-21)26(31)27-14-19-5-2-1-3-6-19)28(16-22-7-4-12-34-22)15-20-8-11-23-24(13-20)33-18-32-23/h1-8,11-13,21H,9-10,14-18H2,(H,27,31)