1-[(2S)-2-ethylhexyl]-3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiourea

Systemtic Name: 1-[(2S)-2-ethylhexyl]-3-[2-(3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]thiourea Openeye Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea CAS Name: 1-[(2S)-2-ethylhexyl]-3-[[1-oxo-2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]amino]thiourea IUPAC Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]thiourea Traditional Name: 1-[(2S)-2-ethylhexyl]-3-[[2-(3-keto-1,4-benzoxazin-4-yl)acetyl]amino]thiourea Formula: C19H28N4O3S MolecularWeight: 392.51562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NNC(=O)CN1C(=O)COC2=CC=CC=C21

Isomeric SMILES

CCCC[C@H](CC)CNC(=S)NNC(=O)CN1C(=O)COC2=CC=CC=C21

InChI

InChI=1S/C19H28N4O3S/c1-3-5-8-14(4-2)11-20-19(27)22-21-17(24)12-23-15-9-6-7-10-16(15)26-13-18(23)25/h6-7,9-10,14H,3-5,8,11-13H2,1-2H3,(H,21,24)(H2,20,22,27)/t14-/m0/s1