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

Systemtic Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(1-naphthalenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(2-naphthalen-1-ylbenzotriazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[[2-(1-naphthyl)benzotriazol-5-yl]thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C29H25N7O3S MolecularWeight: 551.6189

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C29H25N7O3S/c37-28(20-11-14-26(27(17-20)36(38)39)34-15-4-1-5-16-34)31-29(40)30-21-12-13-23-24(18-21)33-35(32-23)25-10-6-8-19-7-2-3-9-22(19)25/h2-3,6-14,17-18H,1,4-5,15-16H2,(H2,30,31,37,40)