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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-pyrrolidinosulfonyl-benzamide Formula: C25H22N4O4S2 MolecularWeight: 506.59658

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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=CC=C(C=C3)C4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H22N4O4S2/c30-23(17-9-13-20(14-10-17)35(31,32)29-15-3-4-16-29)28-25(34)26-19-11-7-18(8-12-19)24-27-21-5-1-2-6-22(21)33-24/h1-2,5-14H,3-4,15-16H2,(H2,26,28,30,34)