1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperazino]-3-phenyl-propan-1-one Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N3CCN(CC3)C(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C21H22ClN3O2S/c1-27-17-9-8-16(22)20-19(17)23-21(28-20)25-13-11-24(12-14-25)18(26)10-7-15-5-3-2-4-6-15/h2-6,8-9H,7,10-14H2,1H3