2-[(4,5-dimethyl-1,3-thiazol-2-yl)-piperazin-1-yl-methyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-piperazin-1-yl-methyl]-4H-1,4-benzoxazin-3-one Openeye Name: 2-[(4,5-dimethylthiazol-2-yl)-piperazin-1-yl-methyl]-4H-1,4-benzoxazin-3-one CAS Name: 2-[(4,5-dimethyl-2-thiazolyl)-(1-piperazinyl)methyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 2-[(4,5-dimethyl-1,3-thiazol-2-yl)-piperazin-1-ylmethyl]-4H-1,4-benzoxazin-3-one Traditional Name: 2-[(4,5-dimethylthiazol-2-yl)-piperazino-methyl]-4H-1,4-benzoxazin-3-one Formula: C18H22N4O2S MolecularWeight: 358.45788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C(C2C(=O)NC3=CC=CC=C3O2)N4CCNCC4)C

Isomeric SMILES

CC1=C(SC(=N1)C(C2C(=O)NC3=CC=CC=C3O2)N4CCNCC4)C

InChI

InChI=1S/C18H22N4O2S/c1-11-12(2)25-18(20-11)15(22-9-7-19-8-10-22)16-17(23)21-13-5-3-4-6-14(13)24-16/h3-6,15-16,19H,7-10H2,1-2H3,(H,21,23)