1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)propyl]-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(3-methylsulfanylpropyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[3-(methylthio)propyl]-1-(4-pyridylmethyl)thiourea Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N(CC1=CC=NC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSCCCNC(=S)N(CC1=CC=NC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O2S2/c1-25-10-2-7-20-18(24)21(12-14-5-8-19-9-6-14)15-3-4-16-17(11-15)23-13-22-16/h3-6,8-9,11H,2,7,10,12-13H2,1H3,(H,20,24)