2-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[(4-veratroylpiperazino)methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=NC4=C(S3)C(=O)CCC4)OC

InChI

InChI=1S/C21H25N3O4S/c1-27-17-7-6-14(12-18(17)28-2)21(26)24-10-8-23(9-11-24)13-19-22-15-4-3-5-16(25)20(15)29-19/h6-7,12H,3-5,8-11,13H2,1-2H3