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

Systemtic Name: N-[[2-(2-methylpropyl)-1,2,3,4-tetrazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(2-isobutyltetrazol-5-yl)carbamothioyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[[[2-(2-methylpropyl)-5-tetrazolyl]amino]-sulfanylidenemethyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[[2-(2-methylpropyl)tetrazol-5-yl]carbamothioyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(2-isobutyltetrazol-5-yl)thiocarbamoyl]-3-nitro-4-piperidino-benzamide Formula: C18H24N8O3S MolecularWeight: 432.49996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1N=C(N=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N8O3S/c1-12(2)11-25-22-17(21-23-25)20-18(30)19-16(27)13-6-7-14(15(10-13)26(28)29)24-8-4-3-5-9-24/h6-7,10,12H,3-5,8-9,11H2,1-2H3,(H2,19,20,22,27,30)