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

Systemtic Name: N-tert-butyl-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-tert-butyl-1,3-benzodioxole-5-carboxamide CAS Name: N-tert-butyl-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-tert-butyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-tert-butyl-piperonylamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C(=O)C3=CC4=C(C=C3)OCO4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C(=O)C3=CC4=C(C=C3)OCO4)C(C)(C)C

InChI

InChI=1S/C27H30N2O4S/c1-19-10-12-22(34-19)16-28(15-20-8-6-5-7-9-20)25(30)17-29(27(2,3)4)26(31)21-11-13-23-24(14-21)33-18-32-23/h5-14H,15-18H2,1-4H3