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

Systemtic Name: 1-[2-[(2S)-3-oxidanylidene-4H-1,4-benzoxazin-2-yl]ethanoylamino]-3-pentyl-thiourea Openeye Name: 1-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]-3-pentyl-thiourea CAS Name: 1-[[1-oxo-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]ethyl]amino]-3-pentylthiourea IUPAC Name: 1-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]-3-pentylthiourea Traditional Name: 1-amyl-3-[[2-[(2S)-3-keto-4H-1,4-benzoxazin-2-yl]acetyl]amino]thiourea Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NNC(=O)CC1C(=O)NC2=CC=CC=C2O1

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-2-3-6-9-17-16(24)20-19-14(21)10-13-15(22)18-11-7-4-5-8-12(11)23-13/h4-5,7-8,13H,2-3,6,9-10H2,1H3,(H,18,22)(H,19,21)(H2,17,20,24)/t13-/m0/s1