3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1-(2-thienylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-methoxyphenyl)-1-(thiophen-2-ylmethyl)thiourea Traditional Name: 1-(4-methoxyphenyl)-3-piperonyl-1-(2-thenyl)thiourea Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=CC=CS2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O3S2/c1-24-17-7-5-16(6-8-17)23(13-18-3-2-10-28-18)21(27)22-12-15-4-9-19-20(11-15)26-14-25-19/h2-11H,12-14H2,1H3,(H,22,27)