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

Systemtic Name: 3-(4-ethoxyphenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea Openeye Name: 3-(4-ethoxyphenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea CAS Name: 3-(4-ethoxyphenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methylthiourea IUPAC Name: 3-(4-ethoxyphenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methylthiourea Traditional Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-p-phenetyl-thiourea Formula: C21H27N3O2S MolecularWeight: 385.52298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=S)NC3=CC=C(C=C3)OCC

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=S)NC3=CC=C(C=C3)OCC

InChI

InChI=1S/C21H27N3O2S/c1-4-24-15-18(26-20-9-7-6-8-19(20)24)14-23(3)21(27)22-16-10-12-17(13-11-16)25-5-2/h6-13,18H,4-5,14-15H2,1-3H3,(H,22,27)/t18-/m1/s1