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

Systemtic Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[4-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[4-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H23N5O4S MolecularWeight: 501.55692

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4S/c32-24(18-10-13-21(22(16-18)31(33)34)30-14-4-1-5-15-30)29-26(36)27-19-11-8-17(9-12-19)25-28-20-6-2-3-7-23(20)35-25/h2-3,6-13,16H,1,4-5,14-15H2,(H2,27,29,32,36)