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

Systemtic Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1-propyl-thiourea Openeye Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1-propyl-thiourea CAS Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1-propylthiourea IUPAC Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4-methoxyphenyl)methyl]-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-p-anisyl-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)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-3-12-23(14-18-15-25-19-6-4-5-7-20(19)26-18)21(27)22-13-16-8-10-17(24-2)11-9-16/h4-11,18H,3,12-15H2,1-2H3,(H,22,27)/t18-/m0/s1