[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(dimethylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-[4-(dimethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(dimethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(dimethylamino)-3-nitrophenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-[4-(dimethylamino)-3-nitro-phenyl]methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

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