1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]thiourea

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[1-oxo-4-(2-oxo-1,3-benzoxazol-3-yl)butyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[4-(2-oxo-1,3-benzoxazol-3-yl)butanoylamino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[4-(2-keto-1,3-benzoxazol-3-yl)butanoylamino]thiourea Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCCN2C3=CC=CC=C3OC2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCCN2C3=CC=CC=C3OC2=O)C

InChI

InChI=1S/C21H24N4O3S/c1-3-15-9-6-8-14(2)19(15)22-20(29)24-23-18(26)12-7-13-25-16-10-4-5-11-17(16)28-21(25)27/h4-6,8-11H,3,7,12-13H2,1-2H3,(H,23,26)(H2,22,24,29)