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

Systemtic Name: N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-pyrrolidin-1-yl-benzamide CAS Name: N-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-pyrrolidino-benzamide Formula: C26H23N5O4S MolecularWeight: 501.55692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4S/c1-16-4-6-17(7-5-16)25-28-20-15-19(9-11-23(20)35-25)27-26(36)29-24(32)18-8-10-21(22(14-18)31(33)34)30-12-2-3-13-30/h4-11,14-15H,2-3,12-13H2,1H3,(H2,27,29,32,36)