N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-2-phenyl-ethanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-butyl-2-phenyl-ethanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-butyl-2-phenyl-acetamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-butyl-2-phenylacetamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-butyl-2-phenylacetamide Traditional Name: N-butyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-2-phenyl-acetamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4S/c1-3-4-13-29(27(31)16-22-8-6-5-7-9-22)19-28(32)30(18-26-21(2)12-14-35-26)17-23-10-11-24-25(15-23)34-20-33-24/h5-12,14-15H,3-4,13,16-20H2,1-2H3