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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(SC=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=O)CN(C(C)C)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4S/c1-19(2)29(26(30)14-21-7-5-4-6-8-21)17-27(31)28(16-25-20(3)11-12-34-25)15-22-9-10-23-24(13-22)33-18-32-23/h4-13,19H,14-18H2,1-3H3