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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclohexyl-3-phenyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclohexyl-3-phenyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-cyclohexyl-3-phenylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclohexyl-3-phenylpropanamide Traditional Name: N-cyclohexyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-3-phenyl-propionamide Formula: C31H36N2O4S MolecularWeight: 532.69354

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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)CCC5=CC=CC=C5

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CCCCC4)C(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H36N2O4S/c1-23-16-17-38-29(23)20-32(19-25-12-14-27-28(18-25)37-22-36-27)31(35)21-33(26-10-6-3-7-11-26)30(34)15-13-24-8-4-2-5-9-24/h2,4-5,8-9,12,14,16-18,26H,3,6-7,10-11,13,15,19-22H2,1H3