1-[(5-methyl-2,1-benzothiazol-3-yl)amino]-3-[3-(3-methyl-4-oxidanyl-phenoxy)propyl]urea

Systemtic Name: 1-[(5-methyl-2,1-benzothiazol-3-yl)amino]-3-[3-(3-methyl-4-oxidanyl-phenoxy)propyl]urea Openeye Name: 1-[3-(4-hydroxy-3-methyl-phenoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea CAS Name: 1-[3-(4-hydroxy-3-methylphenoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea IUPAC Name: 1-[3-(4-hydroxy-3-methylphenoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea Traditional Name: 1-[3-(4-hydroxy-3-methyl-phenoxy)propyl]-3-[(5-methyl-2,1-benzothiazol-3-yl)amino]urea Formula: C19H22N4O3S MolecularWeight: 386.46798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(SN=C2C=C1)NNC(=O)NCCCOC3=CC(=C(C=C3)O)C

Isomeric SMILES

CC1=CC2=C(SN=C2C=C1)NNC(=O)NCCCOC3=CC(=C(C=C3)O)C

InChI

InChI=1S/C19H22N4O3S/c1-12-4-6-16-15(10-12)18(27-23-16)21-22-19(25)20-8-3-9-26-14-5-7-17(24)13(2)11-14/h4-7,10-11,21,24H,3,8-9H2,1-2H3,(H2,20,22,25)