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

Systemtic Name: [4-(7-chloranyl-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)piperazino]-(3-nitrophenyl)methanone Formula: C19H17ClN4O3S MolecularWeight: 416.88128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H17ClN4O3S/c1-12-5-6-15(20)17-16(12)21-19(28-17)23-9-7-22(8-10-23)18(25)13-3-2-4-14(11-13)24(26)27/h2-6,11H,7-10H2,1H3