N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-(3-methoxypropyl)benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-(3-methoxypropyl)benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-3-bromo-N-(3-methoxypropyl)benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-bromo-N-(3-methoxypropyl)benzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-bromo-N-(3-methoxypropyl)benzamide Traditional Name: 3-bromo-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]-N-(3-methoxypropyl)benzamide Formula: C26H27BrN2O5S MolecularWeight: 559.47198

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

COCCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=CC=CS3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C26H27BrN2O5S/c1-32-11-4-10-28(26(31)20-5-2-6-21(27)14-20)17-25(30)29(16-22-7-3-12-35-22)15-19-8-9-23-24(13-19)34-18-33-23/h2-3,5-9,12-14H,4,10-11,15-18H2,1H3