methyl 3-chloranyl-6-(1-pyridin-4-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(1-pyridin-4-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(4-pyridyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(1-pyridin-4-ylethylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(4-pyridyl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H16ClN3O2S2 MolecularWeight: 405.92154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=NC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(C1=CC=NC=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C18H16ClN3O2S2/c1-10(11-5-7-20-8-6-11)21-18(25)22-12-3-4-13-14(9-12)26-16(15(13)19)17(23)24-2/h3-10H,1-2H3,(H2,21,22,25)