1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-methylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-methylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-methyl-thiourea Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)N(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)N(C)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H22N2O2S/c1-3-14-8-10-15(11-9-14)20-19(24)21(2)12-16-13-22-17-6-4-5-7-18(17)23-16/h4-11,16H,3,12-13H2,1-2H3,(H,20,24)/t16-/m0/s1