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

Systemtic Name: 1-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]thiourea Openeye Name: 1-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea IUPAC Name: 1-(3-bromophenyl)-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-(3-bromophenyl)-3-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiourea Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H14BrN3O2S/c1-9-15(21)20-13-8-12(5-6-14(13)22-9)19-16(23)18-11-4-2-3-10(17)7-11/h2-9H,1H3,(H,20,21)(H2,18,19,23)/t9-/m0/s1