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

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-])C

InChI

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