3-[(2,4-dichlorophenyl)carbothioyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[(2,4-dichlorophenyl)carbothioyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[(2,4-dichlorobenzenecarbothioyl)-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[(2,4-dichlorophenyl)-sulfanylidenemethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[(2,4-dichlorobenzenecarbothioyl)-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[(2,4-dichlorothiobenzoyl)-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C21H17Cl2NO2S2 MolecularWeight: 450.40118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=S)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=S)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H17Cl2NO2S2/c1-12(2)24(20(27)15-9-8-14(22)10-16(15)23)17-11-18(28-19(17)21(25)26)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,25,26)