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

Systemtic Name: 1-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-propan-2-yl-thiourea Openeye Name: 1-isopropyl-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-propan-2-ylthiourea IUPAC Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-propan-2-ylthiourea Traditional Name: 1-isopropyl-3-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]thiourea Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-7(2)14-13(19)15-9-4-5-11-10(6-9)16-12(17)8(3)18-11/h4-8H,1-3H3,(H,16,17)(H2,14,15,19)/t8-/m0/s1