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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-(2-methylbutyl)benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-bromo-N-(2-methylbutyl)benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-bromo-N-(2-methylbutyl)benzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-(2-methylbutyl)benzamide Traditional Name: 3-bromo-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-N-(2-methylbutyl)benzamide Formula: C28H31BrN2O4S MolecularWeight: 571.52574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31BrN2O4S/c1-4-19(2)14-31(28(33)22-6-5-7-23(29)13-22)17-27(32)30(16-26-20(3)10-11-36-26)15-21-8-9-24-25(12-21)35-18-34-24/h5-13,19H,4,14-18H2,1-3H3