(5-chloranyl-2-nitro-phenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2-nitro-phenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2-nitro-phenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (5-chloro-2-nitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2-nitrophenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2-nitro-phenyl)-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]

InChI

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