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

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

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

Isomeric SMILES

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

InChI

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