[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Openeye Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone CAS Name: [4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-(3,4-dimethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone Traditional Name: [4-(1,3-benzothiazol-2-ylmethyl)piperazino]-(3,4-dimethoxyphenyl)methanone Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-26-17-8-7-15(13-18(17)27-2)21(25)24-11-9-23(10-12-24)14-20-22-16-5-3-4-6-19(16)28-20/h3-8,13H,9-12,14H2,1-2H3