2-[(3-nitrophenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(3-nitrophenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(3-nitrobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(3-nitrobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C17H16N4O4S2/c18-14(22)13-11-6-1-2-7-12(11)27-16(13)20-17(26)19-15(23)9-4-3-5-10(8-9)21(24)25/h3-5,8H,1-2,6-7H2,(H2,18,22)(H2,19,20,23,26)