1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-(3,5-dimethoxyphenyl)-2-propen-1-one IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-(3,5-dimethoxyphenyl)prop-2-en-1-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C=CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C=CC(=O)N2CCN(CC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C23H25N3O3S/c1-28-18-13-17(14-19(15-18)29-2)7-8-23(27)26-11-9-25(10-12-26)16-22-24-20-5-3-4-6-21(20)30-22/h3-8,13-15H,9-12,16H2,1-2H3