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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl(2-phenylsulfanylethanoyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-(2-phenylsulfanylacetyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-[1-oxo-2-(phenylthio)ethyl]amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[cyclopropyl-(2-phenylsulfanylacetyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[cyclopropyl-[2-(phenylthio)acetyl]amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C26H26N2O4S2 MolecularWeight: 494.62564

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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)CSC5=CC=CC=C5

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C26H26N2O4S2/c29-25(16-28(20-9-10-20)26(30)17-34-21-5-2-1-3-6-21)27(15-22-7-4-12-33-22)14-19-8-11-23-24(13-19)32-18-31-23/h1-8,11-13,20H,9-10,14-18H2