N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H20BrN5O4S MolecularWeight: 566.4264

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5Br)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5Br)[N+](=O)[O-]

InChI

InChI=1S/C25H20BrN5O4S/c26-18-6-2-1-5-17(18)24-28-19-14-16(8-10-22(19)35-24)27-25(36)29-23(32)15-7-9-20(21(13-15)31(33)34)30-11-3-4-12-30/h1-2,5-10,13-14H,3-4,11-12H2,(H2,27,29,32,36)