3-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-naphthyl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxy-2-naphthalenyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-1-methylthiourea Traditional Name: 1-[(6-methoxy-2-naphthyl)methyl]-1-methyl-3-piperonyl-thiourea Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)C=C(C=C2)OC)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H22N2O3S/c1-24(13-16-3-5-18-11-19(25-2)7-6-17(18)9-16)22(28)23-12-15-4-8-20-21(10-15)27-14-26-20/h3-11H,12-14H2,1-2H3,(H,23,28)