N-(3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide

Systemtic Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-[4-(phenylmethyl)piperidin-1-yl]benzamide Openeye Name: 2-(4-benzyl-1-piperidyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide CAS Name: N-(3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-2-[4-(phenylmethyl)-1-piperidinyl]benzamide IUPAC Name: 2-(4-benzylpiperidin-1-yl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-5-nitrobenzamide Traditional Name: 2-(4-benzylpiperidino)-N-(3-methyl-1,3-benzothiazol-2-ylidene)-5-nitro-benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c1-29-24-9-5-6-10-25(24)35-27(29)28-26(32)22-18-21(31(33)34)11-12-23(22)30-15-13-20(14-16-30)17-19-7-3-2-4-8-19/h2-12,18,20H,13-17H2,1H3