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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-3-bromanyl-N-cyclohexyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-3-bromo-N-cyclohexyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-3-bromo-N-cyclohexylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-3-bromo-N-cyclohexylbenzamide Traditional Name: 3-bromo-N-cyclohexyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]benzamide Formula: C29H31BrN2O4S MolecularWeight: 583.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)C(=O)C5=CC(=CC=C5)Br

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)C(=O)C5=CC(=CC=C5)Br

InChI

InChI=1S/C29H31BrN2O4S/c1-20-12-13-37-27(20)17-31(16-21-10-11-25-26(14-21)36-19-35-25)28(33)18-32(24-8-3-2-4-9-24)29(34)22-6-5-7-23(30)15-22/h5-7,10-15,24H,2-4,8-9,16-19H2,1H3