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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)CNC(=S)NNC(=O)CC1C(=O)NC2=CC=CC=C2O1

Isomeric SMILES

CCCCC[C@H](C)CNC(=S)NNC(=O)C[C@H]1C(=O)NC2=CC=CC=C2O1

InChI

InChI=1S/C19H28N4O3S/c1-3-4-5-8-13(2)12-20-19(27)23-22-17(24)11-16-18(25)21-14-9-6-7-10-15(14)26-16/h6-7,9-10,13,16H,3-5,8,11-12H2,1-2H3,(H,21,25)(H,22,24)(H2,20,23,27)/t13-,16-/m0/s1