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

Systemtic Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-4-piperidin-1-yl-benzamide Openeye Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-4-(1-piperidyl)benzamide CAS Name: 3-nitro-N-[[(2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-4-(1-piperidinyl)benzamide IUPAC Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)carbamothioyl]-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-N-[(2-phenylbenzotriazol-5-yl)thiocarbamoyl]-4-piperidino-benzamide Formula: C25H23N7O3S MolecularWeight: 501.56022

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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=CC=C5)[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=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N7O3S/c33-24(17-9-12-22(23(15-17)32(34)35)30-13-5-2-6-14-30)27-25(36)26-18-10-11-20-21(16-18)29-31(28-20)19-7-3-1-4-8-19/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H2,26,27,33,36)