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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethoxyphenyl)-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethoxyphenyl)-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethoxyphenyl)-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-(4-ethoxyphenyl)-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-p-phenetyl-1-propyl-thiourea Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-3-13-23(14-18-15-25-19-7-5-6-8-20(19)26-18)21(27)22-16-9-11-17(12-10-16)24-4-2/h5-12,18H,3-4,13-15H2,1-2H3,(H,22,27)/t18-/m0/s1