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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

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