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

Systemtic Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(2-methoxyethylamino)-3-nitro-phenyl]methanone Openeye Name: [4-(1,3-benzothiazol-2-yl)-1-piperidyl]-[4-(2-methoxyethylamino)-3-nitro-phenyl]methanone CAS Name: [4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone IUPAC Name: [4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[4-(2-methoxyethylamino)-3-nitrophenyl]methanone Traditional Name: [4-(1,3-benzothiazol-2-yl)piperidino]-[4-(2-methoxyethylamino)-3-nitro-phenyl]methanone Formula: C22H24N4O4S MolecularWeight: 440.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O4S/c1-30-13-10-23-17-7-6-16(14-19(17)26(28)29)22(27)25-11-8-15(9-12-25)21-24-18-4-2-3-5-20(18)31-21/h2-7,14-15,23H,8-13H2,1H3