[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone

Systemtic Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-5-nitro-phenyl]methanone Openeye Name: [3-(1,3-benzothiazol-2-yl)-1-piperidyl]-[2-(dimethylamino)-5-nitro-phenyl]methanone CAS Name: [3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[2-(dimethylamino)-5-nitrophenyl]methanone IUPAC Name: [3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[2-(dimethylamino)-5-nitrophenyl]methanone Traditional Name: [3-(1,3-benzothiazol-2-yl)piperidino]-[2-(dimethylamino)-5-nitro-phenyl]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O3S/c1-23(2)18-10-9-15(25(27)28)12-16(18)21(26)24-11-5-6-14(13-24)20-22-17-7-3-4-8-19(17)29-20/h3-4,7-10,12,14H,5-6,11,13H2,1-2H3