N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide

Systemtic Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-nitro-4-piperidino-benzamide Formula: C20H20N4O3S2 MolecularWeight: 428.5278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-28-16-6-5-7-17-18(16)21-20(29-17)22-19(25)13-8-9-14(15(12-13)24(26)27)23-10-3-2-4-11-23/h5-9,12H,2-4,10-11H2,1H3,(H,21,22,25)