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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-(4-fluorobenzyl)-3-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiourea Formula: C17H16FN3O2S MolecularWeight: 345.391243

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H16FN3O2S/c1-10-16(22)21-14-8-13(6-7-15(14)23-10)20-17(24)19-9-11-2-4-12(18)5-3-11/h2-8,10H,9H2,1H3,(H,21,22)(H2,19,20,24)/t10-/m0/s1