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

Systemtic Name: N-[[4-(4-iodophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(4-iodophenyl)thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[[4-(4-iodophenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(4-iodophenyl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(4-iodophenyl)thiazol-2-yl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H19IN4O3S3 MolecularWeight: 598.50003

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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=CC=C(C=C4)I

Isomeric SMILES

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

InChI

InChI=1S/C21H19IN4O3S3/c22-16-7-3-14(4-8-16)18-13-31-21(23-18)25-20(30)24-19(27)15-5-9-17(10-6-15)32(28,29)26-11-1-2-12-26/h3-10,13H,1-2,11-12H2,(H2,23,24,25,27,30)