4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoyl]piperazine-1-carboxylic acid Openeye Name: 4-[(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)carbamoyl]piperazine-1-carboxylic acid CAS Name: 4-[[[4-methoxy-7-(4-morpholinyl)-1,3-benzothiazol-2-yl]amino]-oxomethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoyl]piperazine-1-carboxylic acid Traditional Name: 4-[(4-methoxy-7-morpholino-1,3-benzothiazol-2-yl)carbamoyl]piperazine-1-carboxylic acid Formula: C18H23N5O5S MolecularWeight: 421.47072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)N4CCN(CC4)C(=O)O

Isomeric SMILES

COC1=C2C(=C(C=C1)N3CCOCC3)SC(=N2)NC(=O)N4CCN(CC4)C(=O)O

InChI

InChI=1S/C18H23N5O5S/c1-27-13-3-2-12(21-8-10-28-11-9-21)15-14(13)19-16(29-15)20-17(24)22-4-6-23(7-5-22)18(25)26/h2-3H,4-11H2,1H3,(H,25,26)(H,19,20,24)