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1-(4-butylphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]thiourea

1-(4-butylphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]thiourea

Systemtic Name:1-(4-butylphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]thiourea
Openeye Name:1-(4-butylphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]thiourea
CAS Name:1-(4-butylphenyl)-3-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]thiourea
IUPAC Name:1-(4-butylphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]thiourea
Traditional Name:1-(4-butylphenyl)-3-[3-(2-methoxyphenyl)propanoylamino]thiourea
Formula: C21H27N3O2S
MolecularWeight: 385.52298
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=CC=CC=C2OC


Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCC2=CC=CC=C2OC


InChI

InChI=1S/C21H27N3O2S/c1-3-4-7-16-10-13-18(14-11-16)22-21(27)24-23-20(25)15-12-17-8-5-6-9-19(17)26-2/h5-6,8-11,13-14H,3-4,7,12,15H2,1-2H3,(H,23,25)(H2,22,24,27)


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