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

Systemtic Name: methyl 4-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Openeye Name: methyl 4-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoate CAS Name: 4-[[(6-ethyl-1,3-benzothiazol-2-yl)-[3-(4-morpholinyl)propyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-morpholin-4-ylpropyl)carbamoyl]benzoate Traditional Name: 4-[(6-ethyl-1,3-benzothiazol-2-yl)-(3-morpholinopropyl)carbamoyl]benzoic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)C4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C25H29N3O4S/c1-3-18-5-10-21-22(17-18)33-25(26-21)28(12-4-11-27-13-15-32-16-14-27)23(29)19-6-8-20(9-7-19)24(30)31-2/h5-10,17H,3-4,11-16H2,1-2H3