1-[4-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(4-chloranyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[4-(4-chloro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[4-[4-(4-chloro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]ethanone Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=CC=C4Cl

InChI

InChI=1S/C20H18ClN3O2S/c1-13(25)14-5-7-15(8-6-14)19(26)23-9-11-24(12-10-23)20-22-18-16(21)3-2-4-17(18)27-20/h2-8H,9-12H2,1H3