5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxamide

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrophenyl)carbonylamino]thiophene-3-carboxamide Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxamide CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[[(4-nitrophenyl)-oxomethyl]amino]-3-thiophenecarboxamide IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-[(4-nitrobenzoyl)amino]thiophene-3-carboxamide Traditional Name: 4-methyl-2-[(4-nitrobenzoyl)amino]-5-piperonyl-thiophene-3-carboxamide Formula: C21H17N3O6S MolecularWeight: 439.44118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H17N3O6S/c1-11-17(9-12-2-7-15-16(8-12)30-10-29-15)31-21(18(11)19(22)25)23-20(26)13-3-5-14(6-4-13)24(27)28/h2-8H,9-10H2,1H3,(H2,22,25)(H,23,26)