3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-propylthiourea Traditional Name: 1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-piperonyl-1-propyl-thiourea Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1COC2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCN(C[C@H]1COC2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4S/c1-2-9-23(12-16-13-24-17-5-3-4-6-19(17)27-16)21(28)22-11-15-7-8-18-20(10-15)26-14-25-18/h3-8,10,16H,2,9,11-14H2,1H3,(H,22,28)/t16-/m0/s1