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

Systemtic Name: 1-[(2S)-2-methyl-3-oxidanylidene-4H-1,4-benzoxazin-6-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(2S)-3-keto-2-methyl-4H-1,4-benzoxazin-6-yl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C17H25N4O3S+ MolecularWeight: 365.4704

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

C[C@H]1C(=O)NC2=C(O1)C=CC(=C2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C17H24N4O3S/c1-12-16(22)20-14-11-13(3-4-15(14)24-12)19-17(25)18-5-2-6-21-7-9-23-10-8-21/h3-4,11-12H,2,5-10H2,1H3,(H,20,22)(H2,18,19,25)/p+1/t12-/m0/s1