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

Systemtic Name: N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(2-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(2-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C30H25N5O4S MolecularWeight: 551.6156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC6=CC=CC=C6C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H25N5O4S/c36-28(21-10-12-25(26(17-21)35(37)38)34-14-4-1-5-15-34)33-30(40)31-23-11-13-27-24(18-23)32-29(39-27)22-9-8-19-6-2-3-7-20(19)16-22/h2-3,6-13,16-18H,1,4-5,14-15H2,(H2,31,33,36,40)