1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]-4-morpholin-4-yl-butane-1,4-dione

Systemtic Name: 1-[4-[(5-methyl-1,2-benzothiazol-3-yl)carbonyl]piperazin-1-yl]-4-morpholin-4-yl-butane-1,4-dione Openeye Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-4-morpholino-butane-1,4-dione CAS Name: 1-[4-[(5-methyl-1,2-benzothiazol-3-yl)-oxomethyl]-1-piperazinyl]-4-(4-morpholinyl)butane-1,4-dione IUPAC Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione Traditional Name: 1-[4-(5-methyl-1,2-benzothiazole-3-carbonyl)piperazino]-4-morpholino-butane-1,4-dione Formula: C21H26N4O4S MolecularWeight: 430.52054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)C(=O)CCC(=O)N4CCOCC4

Isomeric SMILES

CC1=CC2=C(C=C1)SN=C2C(=O)N3CCN(CC3)C(=O)CCC(=O)N4CCOCC4

InChI

InChI=1S/C21H26N4O4S/c1-15-2-3-17-16(14-15)20(22-30-17)21(28)25-8-6-23(7-9-25)18(26)4-5-19(27)24-10-12-29-13-11-24/h2-3,14H,4-13H2,1H3