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

Systemtic Name: 4-ethyl-5-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Openeye Name: 4-ethyl-5-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-ethyl-5-methyl-2-[[[[(E)-3-(3-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxamide IUPAC Name: 4-ethyl-5-methyl-2-[[(E)-3-(3-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 4-ethyl-5-methyl-2-[[(E)-3-(3-nitrophenyl)acryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C

InChI

InChI=1S/C18H18N4O4S2/c1-3-13-10(2)28-17(15(13)16(19)24)21-18(27)20-14(23)8-7-11-5-4-6-12(9-11)22(25)26/h4-9H,3H2,1-2H3,(H2,19,24)(H2,20,21,23,27)/b8-7+