N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-3-phenyl-propanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methylpropyl)-3-phenyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-isobutyl-3-phenyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)-3-phenylpropanamide Traditional Name: N-isobutyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-3-phenyl-propionamide Formula: C28H32N2O4S MolecularWeight: 492.62968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O4S/c1-21(2)16-29(27(31)13-11-22-7-4-3-5-8-22)19-28(32)30(18-24-9-6-14-35-24)17-23-10-12-25-26(15-23)34-20-33-25/h3-10,12,14-15,21H,11,13,16-20H2,1-2H3