[4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [4-methyl-2-(phenylmethyl)-1,3-thiazol-5-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (2-benzyl-4-methyl-thiazol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-methyl-2-(phenylmethyl)-5-thiazolyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (2-benzyl-4-methyl-thiazol-5-yl)-[4-(2-nitrophenyl)piperazino]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c1-16-21(30-20(23-16)15-17-7-3-2-4-8-17)22(27)25-13-11-24(12-14-25)18-9-5-6-10-19(18)26(28)29/h2-10H,11-15H2,1H3