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

Systemtic Name: (2-chloranyl-5-nitro-phenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (2-chloro-5-nitro-phenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (2-chloro-5-nitrophenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-nitrophenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (2-chloro-5-nitro-phenyl)-[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H19ClN4O4S MolecularWeight: 446.90726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H19ClN4O4S/c1-2-29-16-4-3-5-17-18(16)22-20(30-17)24-10-8-23(9-11-24)19(26)14-12-13(25(27)28)6-7-15(14)21/h3-7,12H,2,8-11H2,1H3