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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC(=C4C)Cl

InChI

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