methyl 3-chloranyl-6-(3-methylbutylcarbamothioylamino)-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-(3-methylbutylcarbamothioylamino)-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(isopentylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-(3-methylbutylcarbamothioylamino)-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(isoamylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C16H19ClN2O2S2 MolecularWeight: 370.91726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O2S2/c1-9(2)6-7-18-16(22)19-10-4-5-11-12(8-10)23-14(13(11)17)15(20)21-3/h4-5,8-9H,6-7H2,1-3H3,(H2,18,19,22)