methyl 3-chloranyl-6-[di(butan-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[di(butan-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-(disec-butylcarbamothioylamino)benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[di(butan-2-yl)amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[di(butan-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-(disec-butylthiocarbamoylamino)benzothiophene-2-carboxylic acid methyl ester Formula: C19H25ClN2O2S2 MolecularWeight: 412.997

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClN2O2S2/c1-6-11(3)22(12(4)7-2)19(25)21-13-8-9-14-15(10-13)26-17(16(14)20)18(23)24-5/h8-12H,6-7H2,1-5H3,(H,21,25)