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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methylphenyl)thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(m-tolyl)thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methylphenyl)thiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methylphenyl)thiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(m-tolyl)thiourea Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H18N2O2S/c1-12-5-4-6-13(9-12)19-17(22)18-10-14-11-20-15-7-2-3-8-16(15)21-14/h2-9,14H,10-11H2,1H3,(H2,18,19,22)/t14-/m0/s1