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

Systemtic Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[(6-nitro-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[(6-nitro-1,3-benzothiazol-2-yl)carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[(6-nitro-1,3-benzothiazol-2-yl)thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C19H17N5O5S3 MolecularWeight: 491.56378

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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)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O5S3/c25-17(12-3-6-14(7-4-12)32(28,29)23-9-1-2-10-23)21-18(30)22-19-20-15-8-5-13(24(26)27)11-16(15)31-19/h3-8,11H,1-2,9-10H2,(H2,20,21,22,25,30)