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

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

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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)C(C)C

Isomeric SMILES

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

InChI

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