[4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone Openeye Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitro-phenyl)methanone CAS Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(2-methyl-3-nitrophenyl)methanone IUPAC Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(2-methyl-3-nitrophenyl)methanone Traditional Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-(2-methyl-3-nitro-phenyl)methanone Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C20H19ClN4O3S/c1-12-6-7-15(21)18-17(12)22-20(29-18)24-10-8-23(9-11-24)19(26)14-4-3-5-16(13(14)2)25(27)28/h3-7H,8-11H2,1-2H3