1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-homoveratryl-thiourea Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C18H20N2O4S/c1-21-14-5-3-12(9-16(14)22-2)7-8-19-18(25)20-13-4-6-15-17(10-13)24-11-23-15/h3-6,9-10H,7-8,11H2,1-2H3,(H2,19,20,25)