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

Systemtic Name: methyl 3-chloranyl-6-[(4-dimethylaminophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-dimethylaminophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(dimethylamino)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-dimethylaminophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-dimethylaminophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H18ClN3O2S2 MolecularWeight: 419.94812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S2/c1-23(2)13-7-4-11(5-8-13)21-19(26)22-12-6-9-14-15(10-12)27-17(16(14)20)18(24)25-3/h4-10H,1-3H3,(H2,21,22,26)