N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-cyclohexyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-cyclohexyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-chloro-N-cyclohexyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-4-chloro-N-cyclohexylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-chloro-N-cyclohexylbenzamide Traditional Name: 4-chloro-N-cyclohexyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]benzamide Formula: C29H31ClN2O4S MolecularWeight: 539.08544

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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=C(C=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O4S/c1-20-13-14-37-27(20)17-31(16-21-7-12-25-26(15-21)36-19-35-25)28(33)18-32(24-5-3-2-4-6-24)29(34)22-8-10-23(30)11-9-22/h7-15,24H,2-6,16-19H2,1H3