methyl 4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[oxo-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-propan-2-yl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(4-isopropyl-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)C1=C2C(=CC=C1)SC(=N2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-15(2)18-5-4-6-19-20(18)24-23(30-19)26-13-11-25(12-14-26)21(27)16-7-9-17(10-8-16)22(28)29-3/h4-10,15H,11-14H2,1-3H3