[4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazino]-(3-nitrophenyl)methanone Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-13-6-7-16(28-2)17-18(13)29-20(21-17)23-10-8-22(9-11-23)19(25)14-4-3-5-15(12-14)24(26)27/h3-7,12H,8-11H2,1-2H3