methyl 3-chloranyl-6-[1-(4-methylphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[1-(4-methylphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[1-(p-tolyl)ethylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[1-(4-methylphenyl)ethylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[1-(4-methylphenyl)ethylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[1-(p-tolyl)ethylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H19ClN2O2S2 MolecularWeight: 418.96006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C20H19ClN2O2S2/c1-11-4-6-13(7-5-11)12(2)22-20(26)23-14-8-9-15-16(10-14)27-18(17(15)21)19(24)25-3/h4-10,12H,1-3H3,(H2,22,23,26)