1-[(2S)-2-ethylhexyl]-3-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[(2R)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[(2R)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiourea Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=CC2=C(C=C1)OC(C(=O)N2)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NC1=CC2=C(C=C1)O[C@@H](C(=O)N2)C

InChI

InChI=1S/C18H27N3O2S/c1-4-6-7-13(5-2)11-19-18(24)20-14-8-9-16-15(10-14)21-17(22)12(3)23-16/h8-10,12-13H,4-7,11H2,1-3H3,(H,21,22)(H2,19,20,24)/t12-,13+/m1/s1