methyl 4-[3-(dimethylamino)propyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate

Systemtic Name: methyl 4-[3-(dimethylamino)propyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[3-(dimethylamino)propyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[3-(dimethylamino)propyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(dimethylamino)propyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[3-(dimethylamino)propyl-(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H27N3O3S/c1-15-13-19-20(14-16(15)2)30-23(24-19)26(12-6-11-25(3)4)21(27)17-7-9-18(10-8-17)22(28)29-5/h7-10,13-14H,6,11-12H2,1-5H3