N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(2,4-dichlorophenyl)thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[[4-(2,4-dichlorophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(2,4-dichlorophenyl)thiazol-2-yl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H18Cl2N4O3S3 MolecularWeight: 541.49362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl2N4O3S3/c22-14-5-8-16(17(23)11-14)18-12-32-21(24-18)26-20(31)25-19(28)13-3-6-15(7-4-13)33(29,30)27-9-1-2-10-27/h3-8,11-12H,1-2,9-10H2,(H2,24,25,26,28,31)