1-(2-ethyl-6-methyl-phenyl)-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCN2C3=CC=CC=C3OC2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCN2C3=CC=CC=C3OC2=O)C

InChI

InChI=1S/C20H22N4O3S/c1-3-14-8-6-7-13(2)18(14)21-19(28)23-22-17(25)11-12-24-15-9-4-5-10-16(15)27-20(24)26/h4-10H,3,11-12H2,1-2H3,(H,22,25)(H2,21,23,28)