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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[butylcarbamoyl(cyclopropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[butylcarbamoyl(cyclopropyl)amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[butylamino(oxo)methyl]-cyclopropylamino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[butylcarbamoyl(cyclopropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[butylcarbamoyl(cyclopropyl)amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C23H29N3O4S MolecularWeight: 443.55906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C4CC4

Isomeric SMILES

CCCCNC(=O)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C4CC4

InChI

InChI=1S/C23H29N3O4S/c1-2-3-10-24-23(28)26(18-7-8-18)15-22(27)25(14-19-5-4-11-31-19)13-17-6-9-20-21(12-17)30-16-29-20/h4-6,9,11-12,18H,2-3,7-8,10,13-16H2,1H3,(H,24,28)