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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenethyl-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenethyl-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenethyl-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenethyl-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-phenethyl-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)NCCC3=CC=CC=C3

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-2-14-23(21(26)22-13-12-17-8-4-3-5-9-17)15-18-16-24-19-10-6-7-11-20(19)25-18/h3-11,18H,2,12-16H2,1H3,(H,22,26)/t18-/m0/s1