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

Systemtic Name: methyl N-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]carbamate Openeye Name: methyl N-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]carbamate CAS Name: N-[[[[(E)-3-(2-chlorophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]carbamothioylamino]carbamate Traditional Name: N-[[(E)-3-(2-chlorophenyl)acryloyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C12H12ClN3O3S MolecularWeight: 313.75998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C=CC1=CC=CC=C1Cl

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)/C=C/C1=CC=CC=C1Cl

InChI

InChI=1S/C12H12ClN3O3S/c1-19-12(18)16-15-11(20)14-10(17)7-6-8-4-2-3-5-9(8)13/h2-7H,1H3,(H,16,18)(H2,14,15,17,20)/b7-6+