methyl N-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamate

Systemtic Name: methyl N-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamate Openeye Name: methyl N-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamate CAS Name: N-[[[[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]carbamothioylamino]carbamate Traditional Name: N-[[(E)-3-(4-nitrophenyl)acryloyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C12H12N4O5S MolecularWeight: 324.31248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)/C=C/C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O5S/c1-21-12(18)15-14-11(22)13-10(17)7-4-8-2-5-9(6-3-8)16(19)20/h2-7H,1H3,(H,15,18)(H2,13,14,17,22)/b7-4+