methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate

Systemtic Name: methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[(6-methyl-1,3-benzothiazol-2-yl)-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(6-methyl-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-17-4-9-20-21(16-17)32-24(25-20)27(11-3-10-26-12-14-31-15-13-26)22(28)18-5-7-19(8-6-18)23(29)30-2/h4-9,16H,3,10-15H2,1-2H3