N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-thiophene-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-thiophene-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methyl-thiophene-2-carboxamide CAS Name: N-[2-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-3-methyl-2-thiophenecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-3-methylthiophene-2-carboxamide Traditional Name: 3-methyl-N-[2-(piperonylcarbamoyl)phenyl]thiophene-2-carboxamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC=C1)C(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18N2O4S/c1-13-8-9-28-19(13)21(25)23-16-5-3-2-4-15(16)20(24)22-11-14-6-7-17-18(10-14)27-12-26-17/h2-10H,11-12H2,1H3,(H,22,24)(H,23,25)