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

Systemtic Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea Openeye Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea CAS Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(4-ethylphenyl)-1-methylthiourea IUPAC Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(4-ethylphenyl)-1-methylthiourea Traditional Name: 1-[[(2R)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(C)CC2CN(C3=CC=CC=C3O2)CC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(C)C[C@H]2CN(C3=CC=CC=C3O2)CC

InChI

InChI=1S/C21H27N3OS/c1-4-16-10-12-17(13-11-16)22-21(26)23(3)14-18-15-24(5-2)19-8-6-7-9-20(19)25-18/h6-13,18H,4-5,14-15H2,1-3H3,(H,22,26)/t18-/m0/s1