(2-methyl-3-nitro-phenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-methyl-3-nitro-phenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-methyl-3-nitro-phenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2-methyl-3-nitrophenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-piperazinyl]methanone IUPAC Name: (2-methyl-3-nitrophenyl)-[4-(6-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-methyl-3-nitro-phenyl)-[4-[6-(methylthio)-1,3-benzothiazol-2-yl]piperazino]methanone Formula: C20H20N4O3S2 MolecularWeight: 428.5278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)SC

InChI

InChI=1S/C20H20N4O3S2/c1-13-15(4-3-5-17(13)24(26)27)19(25)22-8-10-23(11-9-22)20-21-16-7-6-14(28-2)12-18(16)29-20/h3-7,12H,8-11H2,1-2H3