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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(isobutyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[ethylcarbamoyl(isobutyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O4S/c1-4-23-22(27)25(11-16(2)3)14-21(26)24(13-18-6-5-9-30-18)12-17-7-8-19-20(10-17)29-15-28-19/h5-10,16H,4,11-15H2,1-3H3,(H,23,27)