methyl 3-chloranyl-6-[3-(dimethylamino)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[3-(dimethylamino)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[3-(dimethylamino)propylcarbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[3-(dimethylamino)propylcarbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[3-(dimethylamino)propylthiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C16H20ClN3O2S2 MolecularWeight: 385.9319

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

Isomeric SMILES

CN(C)CCCNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl

InChI

InChI=1S/C16H20ClN3O2S2/c1-20(2)8-4-7-18-16(23)19-10-5-6-11-12(9-10)24-14(13(11)17)15(21)22-3/h5-6,9H,4,7-8H2,1-3H3,(H2,18,19,23)