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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methylphenyl)-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(m-tolyl)-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methylphenyl)-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(3-methylphenyl)-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(m-tolyl)-1-propyl-thiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1COC2=CC=CC=C2O1)C(=S)NC3=CC=CC(=C3)C

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NC3=CC=CC(=C3)C

InChI

InChI=1S/C20H24N2O2S/c1-3-11-22(20(25)21-16-8-6-7-15(2)12-16)13-17-14-23-18-9-4-5-10-19(18)24-17/h4-10,12,17H,3,11,13-14H2,1-2H3,(H,21,25)/t17-/m0/s1