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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[3-(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=CC(=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=CC(=C3)C4=NC5=CC=CC=C5O4)[N+](=O)[O-]

InChI

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