N-[[2-chloranyl-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[2-chloranyl-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-chloro-5-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C28H26ClN5O4S MolecularWeight: 564.05514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H26ClN5O4S/c1-2-17-6-11-25-22(14-17)30-27(38-25)19-7-9-20(29)21(15-19)31-28(39)32-26(35)18-8-10-23(24(16-18)34(36)37)33-12-4-3-5-13-33/h6-11,14-16H,2-5,12-13H2,1H3,(H2,31,32,35,39)