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

Systemtic Name: methyl 4-[1,3-benzothiazol-2-yl-[3-(dimethylamino)propyl]carbamoyl]benzoate Openeye Name: methyl 4-[1,3-benzothiazol-2-yl-[3-(dimethylamino)propyl]carbamoyl]benzoate CAS Name: 4-[[1,3-benzothiazol-2-yl-[3-(dimethylamino)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[1,3-benzothiazol-2-yl-[3-(dimethylamino)propyl]carbamoyl]benzoate Traditional Name: 4-[1,3-benzothiazol-2-yl-[3-(dimethylamino)propyl]carbamoyl]benzoic acid methyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(C)CCCN(C1=NC2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-23(2)13-6-14-24(21-22-17-7-4-5-8-18(17)28-21)19(25)15-9-11-16(12-10-15)20(26)27-3/h4-5,7-12H,6,13-14H2,1-3H3