3-(1,3-benzodioxol-5-yl)-1,1-dipentyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1,1-dipentyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1,1-dipentyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1,1-dipentylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1,1-dipentylthiourea Traditional Name: 1,1-diamyl-3-(1,3-benzodioxol-5-yl)thiourea Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C18H28N2O2S/c1-3-5-7-11-20(12-8-6-4-2)18(23)19-15-9-10-16-17(13-15)22-14-21-16/h9-10,13H,3-8,11-12,14H2,1-2H3,(H,19,23)