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

Systemtic Name: N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C27H24ClN5O4S MolecularWeight: 550.02856

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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)N5CCCCC5)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-])Cl

InChI

InChI=1S/C27H24ClN5O4S/c1-16-5-8-19(20(28)13-16)26-30-21-15-18(7-10-24(21)37-26)29-27(38)31-25(34)17-6-9-22(23(14-17)33(35)36)32-11-3-2-4-12-32/h5-10,13-15H,2-4,11-12H2,1H3,(H2,29,31,34,38)