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

Systemtic Name: 4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide CAS Name: 4-methyl-2-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-4-methyl-2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]thiophene-3-carboxamide Traditional Name: 5-benzyl-4-methyl-2-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]thiophene-3-carboxamide Formula: C23H20N4O4S2 MolecularWeight: 480.5593

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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-])CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4S2/c1-14-18(13-16-5-3-2-4-6-16)33-22(20(14)21(24)29)26-23(32)25-19(28)12-9-15-7-10-17(11-8-15)27(30)31/h2-12H,13H2,1H3,(H2,24,29)(H2,25,26,28,32)/b12-9+