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

Systemtic Name: 3-(4-butylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea CAS Name: 3-(4-butylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea IUPAC Name: 3-(4-butylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea Traditional Name: 3-(4-butylphenyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(CCC)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(CCC)C[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C23H30N2O2S/c1-3-5-8-18-11-13-19(14-12-18)24-23(28)25(15-4-2)16-20-17-26-21-9-6-7-10-22(21)27-20/h6-7,9-14,20H,3-5,8,15-17H2,1-2H3,(H,24,28)/t20-/m0/s1