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

Systemtic Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)piperazino]-(4-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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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