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

Systemtic Name: 1-(2-ethyl-6-methyl-phenyl)-3-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]thiourea Openeye Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea CAS Name: 1-(2-ethyl-6-methylphenyl)-3-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]amino]thiourea IUPAC Name: 1-(2-ethyl-6-methylphenyl)-3-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-[[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CC2C(=O)NC3=CC=CC=C3O2)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)C[C@H]2C(=O)NC3=CC=CC=C3O2)C

InChI

InChI=1S/C20H22N4O3S/c1-3-13-8-6-7-12(2)18(13)22-20(28)24-23-17(25)11-16-19(26)21-14-9-4-5-10-15(14)27-16/h4-10,16H,3,11H2,1-2H3,(H,21,26)(H,23,25)(H2,22,24,28)/t16-/m0/s1