1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiourea

Systemtic Name: 1-(2-chloranyl-4,6-dimethyl-phenyl)-3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiourea Openeye Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea CAS Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]thiourea IUPAC Name: 1-(2-chloro-4,6-dimethylphenyl)-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea Traditional Name: 1-(2-chloro-4,6-dimethyl-phenyl)-3-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]thiourea Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CN2C(=O)COC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=S)NNC(=O)CN2C(=O)COC3=CC=CC=C32)C

InChI

InChI=1S/C19H19ClN4O3S/c1-11-7-12(2)18(13(20)8-11)21-19(28)23-22-16(25)9-24-14-5-3-4-6-15(14)27-10-17(24)26/h3-8H,9-10H2,1-2H3,(H,22,25)(H2,21,23,28)