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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-(3-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-(3-pyridylmethyl)thiourea Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCNC(=S)N(CC1=CN=CC=C1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H21N3O2S/c1-2-3-9-20-18(24)21(12-14-5-4-8-19-11-14)15-6-7-16-17(10-15)23-13-22-16/h4-8,10-11H,2-3,9,12-13H2,1H3,(H,20,24)