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

Systemtic Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-3-(4-isopropylphenyl)-1-methyl-thiourea CAS Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]-1-methyl-3-p-cumenyl-thiourea Formula: C22H29N3OS MolecularWeight: 383.55016

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-5-25-15-19(26-21-9-7-6-8-20(21)25)14-24(4)22(27)23-18-12-10-17(11-13-18)16(2)3/h6-13,16,19H,5,14-15H2,1-4H3,(H,23,27)/t19-/m1/s1