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

Systemtic Name: N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(4-phenylthiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(4-phenyl-2-thiazolyl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(4-phenyl-1,3-thiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(4-phenylthiazol-2-yl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C21H20N4O3S3 MolecularWeight: 472.6035

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3S3/c26-19(16-8-10-17(11-9-16)31(27,28)25-12-4-5-13-25)23-20(29)24-21-22-18(14-30-21)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H2,22,23,24,26,29)