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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethylphenyl)-1-propyl-thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O2S/c1-3-13-23(21(26)22-17-11-9-16(4-2)10-12-17)14-18-15-24-19-7-5-6-8-20(19)25-18/h5-12,18H,3-4,13-15H2,1-2H3,(H,22,26)/t18-/m0/s1