4-(1,3-benzothiazol-2-yl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(2,5-dimethoxybenzyl)piperazino]butan-1-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H29N3O3S/c1-29-19-10-11-21(30-2)18(16-19)17-26-12-14-27(15-13-26)24(28)9-5-8-23-25-20-6-3-4-7-22(20)31-23/h3-4,6-7,10-11,16H,5,8-9,12-15,17H2,1-2H3