N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[(2-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-nitrobenzoyl)amino]-N-piperonyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C24H21N3O6S MolecularWeight: 479.50504

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H21N3O6S/c28-22(15-5-1-3-7-17(15)27(30)31)26-24-21(16-6-2-4-8-20(16)34-24)23(29)25-12-14-9-10-18-19(11-14)33-13-32-18/h1,3,5,7,9-11H,2,4,6,8,12-13H2,(H,25,29)(H,26,28)