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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-isobutyl-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(3-chloroanilino)-oxomethyl]-(2-methylpropyl)amino]-N-[(3-methyl-2-thiophenyl)methyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[(3-methylthiophen-2-yl)methyl]acetamide Traditional Name: 2-[(3-chlorophenyl)carbamoyl-isobutyl-amino]-N-[(3-methyl-2-thienyl)methyl]-N-piperonyl-acetamide Formula: C27H30ClN3O4S MolecularWeight: 528.0628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CC(C)C)C(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(CC(C)C)C(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C27H30ClN3O4S/c1-18(2)13-31(27(33)29-22-6-4-5-21(28)12-22)16-26(32)30(15-25-19(3)9-10-36-25)14-20-7-8-23-24(11-20)35-17-34-23/h4-12,18H,13-17H2,1-3H3,(H,29,33)