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

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methylthiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methylthiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-thiourea Formula: C20H24ClN3OS MolecularWeight: 389.94206

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3OS/c1-4-24-13-16(25-19-8-6-5-7-18(19)24)12-23(3)20(26)22-15-10-9-14(2)17(21)11-15/h5-11,16H,4,12-13H2,1-3H3,(H,22,26)/t16-/m1/s1