N-cyclohexyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-cyclohexyl-N-[2-[(5-methylthiophen-2-yl)methyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclohexyl-1,3-benzodioxole-5-carboxamide CAS Name: N-cyclohexyl-N-[2-[(5-methyl-2-thiophenyl)methyl-(phenylmethyl)amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclohexyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-cyclohexyl-piperonylamide Formula: C29H32N2O4S MolecularWeight: 504.64038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CCCCC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H32N2O4S/c1-21-12-14-25(36-21)18-30(17-22-8-4-2-5-9-22)28(32)19-31(24-10-6-3-7-11-24)29(33)23-13-15-26-27(16-23)35-20-34-26/h2,4-5,8-9,12-16,24H,3,6-7,10-11,17-20H2,1H3