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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C27H25N5O4S MolecularWeight: 515.5835

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5O4

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C4=NC5=CC=CC=C5O4

InChI

InChI=1S/C27H25N5O4S/c1-17-19(26-28-21-9-3-4-11-24(21)36-26)8-7-10-20(17)29-27(37)30-25(33)18-12-13-22(23(16-18)32(34)35)31-14-5-2-6-15-31/h3-4,7-13,16H,2,5-6,14-15H2,1H3,(H2,29,30,33,37)