methyl 3-chloranyl-6-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-(1,5-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(1,5-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H19ClN4O2S2 MolecularWeight: 422.95206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=C(C=NN1C)C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H19ClN4O2S2/c1-9(13-8-20-23(3)10(13)2)21-18(26)22-11-5-6-12-14(7-11)27-16(15(12)19)17(24)25-4/h5-9H,1-4H3,(H2,21,22,26)