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

Systemtic Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-nitro-4-piperidino-benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NNC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=N/NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-23-16-7-3-4-8-18(16)29-20(23)22-21-19(26)14-9-10-15(17(13-14)25(27)28)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12H2,1H3,(H,21,26)/b22-20+