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

Systemtic Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxidanylidene-ethyl]-4-methyl-N-propyl-benzamide Openeye Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thienyl)methyl]amino]-2-oxo-ethyl]-4-methyl-N-propyl-benzamide CAS Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methyl-2-thiophenyl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide IUPAC Name: N-[2-[1,3-benzodioxol-5-ylmethyl-[(3-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide Traditional Name: N-[2-keto-2-[(3-methyl-2-thienyl)methyl-piperonyl-amino]ethyl]-4-methyl-N-propyl-benzamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCN(CC(=O)N(CC1=CC2=C(C=C1)OCO2)CC3=C(C=CS3)C)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H30N2O4S/c1-4-12-28(27(31)22-8-5-19(2)6-9-22)17-26(30)29(16-25-20(3)11-13-34-25)15-21-7-10-23-24(14-21)33-18-32-23/h5-11,13-14H,4,12,15-18H2,1-3H3