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1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea

1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea

Systemtic Name:1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
Openeye Name:1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
CAS Name:1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
IUPAC Name:1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-diethoxyphenyl)ethyl]thiourea
Traditional Name:1-[2-(3,4-diethoxyphenyl)ethyl]-3-piperonyl-thiourea
Formula: C21H26N2O4S
MolecularWeight: 402.50714
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C21H26N2O4S/c1-3-24-17-7-5-15(11-19(17)25-4-2)9-10-22-21(28)23-13-16-6-8-18-20(12-16)27-14-26-18/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H2,22,23,28)


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