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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=S)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C[C@H](OC2=CC=CC=C21)CN(C)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H27N3O2S/c1-4-24-15-18(26-20-8-6-5-7-19(20)24)14-23(2)21(27)22-13-16-9-11-17(25-3)12-10-16/h5-12,18H,4,13-15H2,1-3H3,(H,22,27)/t18-/m1/s1