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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-propanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-propanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-cyclopropylpropanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropylpropanamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C4CC4

Isomeric SMILES

CCC(=O)N(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C4CC4

InChI

InChI=1S/C22H26N2O4S/c1-3-21(25)24(17-5-6-17)13-22(26)23(12-20-15(2)8-9-29-20)11-16-4-7-18-19(10-16)28-14-27-18/h4,7-10,17H,3,5-6,11-14H2,1-2H3