N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C28H26ClN5O4S MolecularWeight: 564.05514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])C

InChI

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