methyl 4-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethylcarbamoyl]benzoate

Systemtic Name: methyl 4-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethylcarbamoyl]benzoate Openeye Name: methyl 4-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethylcarbamoyl]benzoate CAS Name: 4-[[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]ethylamino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]ethylcarbamoyl]benzoate Traditional Name: 4-[2-[4-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperazino]ethylcarbamoyl]benzoic acid methyl ester Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)C(=O)OC)C

InChI

InChI=1S/C24H28N4O3S/c1-16-4-9-20-21(17(16)2)26-24(32-20)28-14-12-27(13-15-28)11-10-25-22(29)18-5-7-19(8-6-18)23(30)31-3/h4-9H,10-15H2,1-3H3,(H,25,29)