N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-propyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-propyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-bromo-N-propyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-bromo-N-propylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-propylbenzamide Traditional Name: 3-bromo-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-N-propyl-benzamide Formula: C26H27BrN2O4S MolecularWeight: 543.47258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN2O4S/c1-3-10-28(26(31)20-5-4-6-21(27)13-20)16-25(30)29(15-24-18(2)9-11-34-24)14-19-7-8-22-23(12-19)33-17-32-22/h4-9,11-13H,3,10,14-17H2,1-2H3