methyl 6-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[(5-tert-butyl-2-methoxy-phenyl)carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[(5-tert-butyl-2-methoxyanilino)-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[(5-tert-butyl-2-methoxyphenyl)carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[(5-tert-butyl-2-methoxy-phenyl)thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C22H23ClN2O3S2 MolecularWeight: 463.01262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN2O3S2/c1-22(2,3)12-6-9-16(27-4)15(10-12)25-21(29)24-13-7-8-14-17(11-13)30-19(18(14)23)20(26)28-5/h6-11H,1-5H3,(H2,24,25,29)