N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-isobutyl-amino]-N-(2-thienylmethyl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3,4-dimethylanilino)-oxomethyl]-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3,4-dimethylphenyl)carbamoyl-(2-methylpropyl)amino]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[(3,4-dimethylphenyl)carbamoyl-isobutyl-amino]-N-piperonyl-N-(2-thenyl)acetamide Formula: C28H33N3O4S MolecularWeight: 507.64432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC(C)C)CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C

InChI

InChI=1S/C28H33N3O4S/c1-19(2)14-31(28(33)29-23-9-7-20(3)21(4)12-23)17-27(32)30(16-24-6-5-11-36-24)15-22-8-10-25-26(13-22)35-18-34-25/h5-13,19H,14-18H2,1-4H3,(H,29,33)