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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCN2C(=O)COC3=CC=CC=C32)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCN2C(=O)COC3=CC=CC=C32)C

InChI

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