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1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dipropoxyphenyl)thiourea

1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dipropoxyphenyl)thiourea

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

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)OCCC


Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3)OCCC


InChI

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


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