N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide

Systemtic Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Openeye Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide CAS Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)-4-piperidinecarboxamide IUPAC Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide Traditional Name: N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-nitrophenyl)isonipecotamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)C3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-13-6-7-15-18(12-13)28-20(21-15)22-19(25)14-8-10-23(11-9-14)16-4-2-3-5-17(16)24(26)27/h2-7,12,14H,8-11H2,1H3,(H,21,22,25)