1-(1,3-benzodioxol-5-yl)-3-(2-methylprop-2-enyl)-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methylprop-2-enyl)-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methylallyl)-1-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methylprop-2-enyl)-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methylprop-2-enyl)-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methylallyl)-1-(4-pyridylmethyl)thiourea Formula: C18H19N3O2S MolecularWeight: 341.42736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O2S/c1-13(2)10-20-18(24)21(11-14-5-7-19-8-6-14)15-3-4-16-17(9-15)23-12-22-16/h3-9H,1,10-12H2,2H3,(H,20,24)