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

Systemtic Name: N-[[4-(2-oxidanylidenechromen-3-yl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(2-oxochromen-3-yl)thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]amino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(2-oxochromen-3-yl)-1,3-thiazol-2-yl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(2-ketochromen-3-yl)thiazol-2-yl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C24H20N4O5S3 MolecularWeight: 540.6344

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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=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=NC(=CS3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C24H20N4O5S3/c29-21(15-7-9-17(10-8-15)36(31,32)28-11-3-4-12-28)26-23(34)27-24-25-19(14-35-24)18-13-16-5-1-2-6-20(16)33-22(18)30/h1-2,5-10,13-14H,3-4,11-12H2,(H2,25,26,27,29,34)