methyl N-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(3-chloranyl-1-benzothiophen-2-yl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-chlorobenzothiophene-2-carbonyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]carbamate Traditional Name: N-[(3-chlorobenzothiophene-2-carbonyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C12H10ClN3O3S2 MolecularWeight: 343.8091

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)C1=C(C2=CC=CC=C2S1)Cl

InChI

InChI=1S/C12H10ClN3O3S2/c1-19-12(18)16-15-11(20)14-10(17)9-8(13)6-4-2-3-5-7(6)21-9/h2-5H,1H3,(H,16,18)(H2,14,15,17,20)