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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-2-methyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-2-methyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-2-methylpropanamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-2-methyl-propionamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CC4)C(=O)C(C)C

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C4CC4)C(=O)C(C)C

InChI

InChI=1S/C23H28N2O4S/c1-15(2)23(27)25(18-5-6-18)13-22(26)24(12-21-16(3)8-9-30-21)11-17-4-7-19-20(10-17)29-14-28-19/h4,7-10,15,18H,5-6,11-14H2,1-3H3