methyl 6-[bis(2-methylpropyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[bis(2-methylpropyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(diisobutylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 6-[[[bis(2-methylpropyl)amino]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[bis(2-methylpropyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(diisobutylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O2S2/c1-11(2)9-22(10-12(3)4)19(25)21-13-6-7-14-15(8-13)26-17(16(14)20)18(23)24-5/h6-8,11-12H,9-10H2,1-5H3,(H,21,25)