N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)carbamoyl-propyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)carbamoyl-propyl-amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[(3-methyl-2-thienyl)methyl]-2-[o-tolylcarbamoyl(propyl)amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-methylanilino)-oxomethyl]-propylamino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-methylphenyl)carbamoyl-propylamino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: N-[(3-methyl-2-thienyl)methyl]-2-[o-tolylcarbamoyl(propyl)amino]-N-piperonyl-acetamide Formula: C27H31N3O4S MolecularWeight: 493.61774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)NC4=CC=CC=C4C

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)NC4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O4S/c1-4-12-29(27(32)28-22-8-6-5-7-19(22)2)17-26(31)30(16-25-20(3)11-13-35-25)15-21-9-10-23-24(14-21)34-18-33-23/h5-11,13-14H,4,12,15-18H2,1-3H3,(H,28,32)