5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-(3-phenylpropanoylamino)thiophene-3-carboxamide Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-piperonyl-thiophene-3-carboxamide Formula: C23H22N2O4S MolecularWeight: 422.49678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCC2=CC=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O4S/c1-14-19(12-16-7-9-17-18(11-16)29-13-28-17)30-23(21(14)22(24)27)25-20(26)10-8-15-5-3-2-4-6-15/h2-7,9,11H,8,10,12-13H2,1H3,(H2,24,27)(H,25,26)