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

Systemtic Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)benzotriazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: 3-nitro-4-piperidino-N-[(2-p-phenetylbenzotriazol-5-yl)thiocarbamoyl]benzamide Formula: C27H27N7O4S MolecularWeight: 545.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCCCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H27N7O4S/c1-2-38-21-10-8-20(9-11-21)33-30-22-12-7-19(17-23(22)31-33)28-27(39)29-26(35)18-6-13-24(25(16-18)34(36)37)32-14-4-3-5-15-32/h6-13,16-17H,2-5,14-15H2,1H3,(H2,28,29,35,39)