1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-nitrophenyl)thiourea Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3S/c1-3-22-13-16(26-18-7-5-4-6-17(18)22)12-21(2)19(27)20-14-8-10-15(11-9-14)23(24)25/h4-11,16H,3,12-13H2,1-2H3,(H,20,27)/t16-/m0/s1