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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-2-phenyl-butanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-cyclopropyl-2-phenyl-butanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-phenylbutanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-cyclopropyl-2-phenylbutanamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-2-phenyl-butyramide Formula: C28H30N2O4S MolecularWeight: 490.6138

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C5CC5

InChI

InChI=1S/C28H30N2O4S/c1-2-24(21-7-4-3-5-8-21)28(32)30(22-11-12-22)18-27(31)29(17-23-9-6-14-35-23)16-20-10-13-25-26(15-20)34-19-33-25/h3-10,13-15,22,24H,2,11-12,16-19H2,1H3