N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-cyclopropyl-butanamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxidanylidene-ethyl]-4-chloranyl-N-cyclopropyl-butanamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl(2-thienylmethyl)amino]-2-oxo-ethyl]-4-chloro-N-cyclopropyl-butanamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-cyclopropylbutanamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-4-chloro-N-cyclopropylbutanamide Traditional Name: 4-chloro-N-cyclopropyl-N-[2-keto-2-[piperonyl(2-thenyl)amino]ethyl]butyramide Formula: C22H25ClN2O4S MolecularWeight: 448.9629

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)CCCCl

Isomeric SMILES

C1CC1N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CS4)C(=O)CCCCl

InChI

InChI=1S/C22H25ClN2O4S/c23-9-1-4-21(26)25(17-6-7-17)14-22(27)24(13-18-3-2-10-30-18)12-16-5-8-19-20(11-16)29-15-28-19/h2-3,5,8,10-11,17H,1,4,6-7,9,12-15H2