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

Systemtic Name: N-cyclopropyl-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-cyclopropyl-1,3-benzodioxole-5-carboxamide CAS Name: N-cyclopropyl-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-cyclopropyl-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[benzyl-[(5-methyl-2-thienyl)methyl]amino]-2-keto-ethyl]-N-cyclopropyl-piperonylamide Formula: C26H26N2O4S MolecularWeight: 462.56064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(S1)CN(CC2=CC=CC=C2)C(=O)CN(C3CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N2O4S/c1-18-7-11-22(33-18)15-27(14-19-5-3-2-4-6-19)25(29)16-28(21-9-10-21)26(30)20-8-12-23-24(13-20)32-17-31-23/h2-8,11-13,21H,9-10,14-17H2,1H3