methyl 6-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C16H14ClN5O3S2 MolecularWeight: 423.89706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C16H14ClN5O3S2/c1-22-6-9(12(21-22)14(18)23)20-16(26)19-7-3-4-8-10(5-7)27-13(11(8)17)15(24)25-2/h3-6H,1-2H3,(H2,18,23)(H2,19,20,26)