N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[(6-fluoranyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(6-fluoro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(6-fluoro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C19H17FN4O3S3 MolecularWeight: 464.556683

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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=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C19H17FN4O3S3/c20-13-5-8-15-16(11-13)29-19(21-15)23-18(28)22-17(25)12-3-6-14(7-4-12)30(26,27)24-9-1-2-10-24/h3-8,11H,1-2,9-10H2,(H2,21,22,23,25,28)