N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[(6-methyl-2-phenyl-5-benzotriazolyl)amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(6-methyl-2-phenylbenzotriazol-5-yl)carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(6-methyl-2-phenyl-benzotriazol-5-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C26H25N7O3S MolecularWeight: 515.5868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H25N7O3S/c1-17-14-21-22(30-32(29-21)19-8-4-2-5-9-19)16-20(17)27-26(37)28-25(34)18-10-11-23(24(15-18)33(35)36)31-12-6-3-7-13-31/h2,4-5,8-11,14-16H,3,6-7,12-13H2,1H3,(H2,27,28,34,37)