[4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-phenyl-methanone

Systemtic Name: [4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylphenyl]-phenyl-methanone Openeye Name: [4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenyl-methanone CAS Name: [4-[[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]phenyl]-phenylmethanone IUPAC Name: [4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenylmethanone Traditional Name: [4-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]phenyl]-phenyl-methanone Formula: C27H25N3O2S MolecularWeight: 455.5713

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H25N3O2S/c1-2-19-8-13-23-24(18-19)33-27(28-23)30-16-14-29(15-17-30)26(32)22-11-9-21(10-12-22)25(31)20-6-4-3-5-7-20/h3-13,18H,2,14-17H2,1H3