3-(2-chloranyl-5-nitro-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea Formula: C19H21ClN4O3S MolecularWeight: 420.91304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H21ClN4O3S/c1-3-23-12-14(27-18-7-5-4-6-17(18)23)11-22(2)19(28)21-16-10-13(24(25)26)8-9-15(16)20/h4-10,14H,3,11-12H2,1-2H3,(H,21,28)/t14-/m1/s1