methyl N-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamate

Systemtic Name: methyl N-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamate Openeye Name: methyl N-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamate CAS Name: N-[[[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamate Traditional Name: N-[[(E)-3-phenylacryloyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C=CC1=CC=CC=C1

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)/C=C/C1=CC=CC=C1

InChI

InChI=1S/C12H13N3O3S/c1-18-12(17)15-14-11(19)13-10(16)8-7-9-5-3-2-4-6-9/h2-8H,1H3,(H,15,17)(H2,13,14,16,19)/b8-7+