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

Systemtic Name: methyl 3-chloranyl-6-[(3,3-dimethyl-1-pyrazol-1-yl-butan-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[[3,3-dimethyl-1-(1-pyrazolyl)butan-2-yl]amino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[2,2-dimethyl-1-(pyrazol-1-ylmethyl)propyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H23ClN4O2S2 MolecularWeight: 451.00522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(C)(C)C(CN1C=CC=N1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C20H23ClN4O2S2/c1-20(2,3)15(11-25-9-5-8-22-25)24-19(28)23-12-6-7-13-14(10-12)29-17(16(13)21)18(26)27-4/h5-10,15H,11H2,1-4H3,(H2,23,24,28)