(2-chloranyl-5-nitro-phenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-nitro-phenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2-chloro-5-nitrophenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-nitrophenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-nitro-phenyl)-[4-(4-methyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17ClN4O3S/c1-12-3-2-4-16-17(12)21-19(28-16)23-9-7-22(8-10-23)18(25)14-11-13(24(26)27)5-6-15(14)20/h2-6,11H,7-10H2,1H3