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

Systemtic Name: 1-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea CAS Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]thiourea Traditional Name: 1-benzyl-3-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiourea Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O2S/c1-11-16(21)20-14-9-13(7-8-15(14)22-11)19-17(23)18-10-12-5-3-2-4-6-12/h2-9,11H,10H2,1H3,(H,20,21)(H2,18,19,23)/t11-/m0/s1