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

Systemtic Name: methyl 4-[3-(dimethylamino)propyl-(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Openeye Name: methyl 4-[3-(dimethylamino)propyl-(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate CAS Name: 4-[[3-(dimethylamino)propyl-(4-methyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(dimethylamino)propyl-(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate Traditional Name: 4-[3-(dimethylamino)propyl-(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoic acid methyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H25N3O3S/c1-15-7-5-8-18-19(15)23-22(29-18)25(14-6-13-24(2)3)20(26)16-9-11-17(12-10-16)21(27)28-4/h5,7-12H,6,13-14H2,1-4H3