N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-N-cyclopropyl-4-methyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide Traditional Name: N-cyclopropyl-N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-4-methyl-benzamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(C=CS4)C)C5CC5

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CC(=O)N(CC2=CC3=C(C=C2)OCO3)CC4=C(C=CS4)C)C5CC5

InChI

InChI=1S/C27H28N2O4S/c1-18-3-6-21(7-4-18)27(31)29(22-8-9-22)16-26(30)28(15-25-19(2)11-12-34-25)14-20-5-10-23-24(13-20)33-17-32-23/h3-7,10-13,22H,8-9,14-17H2,1-2H3