methyl 3-chloranyl-6-[(2-phenylethanoylamino)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2-phenylethanoylamino)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[(2-phenylacetyl)amino]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[(2-phenylacetyl)amino]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[(2-phenylacetyl)amino]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H16ClN3O3S2 MolecularWeight: 433.93164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)CC3=CC=CC=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NNC(=O)CC3=CC=CC=C3)Cl

InChI

InChI=1S/C19H16ClN3O3S2/c1-26-18(25)17-16(20)13-8-7-12(10-14(13)28-17)21-19(27)23-22-15(24)9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,22,24)(H2,21,23,27)