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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-5-24-14-18(25-20-9-7-6-8-19(20)24)13-23(4)21(26)22-17-11-10-15(2)16(3)12-17/h6-12,18H,5,13-14H2,1-4H3,(H,22,26)/t18-/m1/s1