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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-N-(2-methoxyethyl)-2-phenyl-butanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-N-(2-methoxyethyl)-2-phenyl-butanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-phenylbutanamide Traditional Name: N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(2-methoxyethyl)-2-phenyl-butyramide Formula: C28H32N2O5S MolecularWeight: 508.62908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O5S/c1-3-24(22-8-5-4-6-9-22)28(32)29(13-14-33-2)19-27(31)30(18-23-10-7-15-36-23)17-21-11-12-25-26(16-21)35-20-34-25/h4-12,15-16,24H,3,13-14,17-20H2,1-2H3