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

Systemtic Name: methyl 3-chloranyl-6-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,6-diisopropylphenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[2,6-di(propan-2-yl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[2,6-di(propan-2-yl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2,6-diisopropylphenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H25ClN2O2S2 MolecularWeight: 461.0398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C23H25ClN2O2S2/c1-12(2)15-7-6-8-16(13(3)4)20(15)26-23(29)25-14-9-10-17-18(11-14)30-21(19(17)24)22(27)28-5/h6-13H,1-5H3,(H2,25,26,29)