4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Openeye Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4,5-dimethyl-2-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C17H16N4O4S2 MolecularWeight: 404.46334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H16N4O4S2/c1-9-10(2)27-16(14(9)15(18)23)20-17(26)19-13(22)8-5-11-3-6-12(7-4-11)21(24)25/h3-8H,1-2H3,(H2,18,23)(H2,19,20,22,26)/b8-5+