1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-ethoxy-3-methoxy-phenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-ethoxy-3-methoxy-phenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-ethoxy-3-methoxy-phenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]thiourea Traditional Name: 1-[2-(4-ethoxy-3-methoxy-phenyl)ethyl]-3-piperonyl-thiourea Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C20H24N2O4S/c1-3-24-16-6-4-14(10-18(16)23-2)8-9-21-20(27)22-12-15-5-7-17-19(11-15)26-13-25-17/h4-7,10-11H,3,8-9,12-13H2,1-2H3,(H2,21,22,27)