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

Systemtic Name: methyl 3-chloranyl-6-[(4-methylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(p-tolylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-methylanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-methylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(p-tolylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C18H15ClN2O2S2 MolecularWeight: 390.9069

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O2S2/c1-10-3-5-11(6-4-10)20-18(24)21-12-7-8-13-14(9-12)25-16(15(13)19)17(22)23-2/h3-9H,1-2H3,(H2,20,21,24)