1-(4-butylphenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[3-(4-methylphenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[3-(4-methylphenoxy)propanoylamino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[3-(4-methylphenoxy)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)CCOC2=CC=C(C=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CCOC2=CC=C(C=C2)C

InChI

InChI=1S/C21H27N3O2S/c1-3-4-5-17-8-10-18(11-9-17)22-21(27)24-23-20(25)14-15-26-19-12-6-16(2)7-13-19/h6-13H,3-5,14-15H2,1-2H3,(H,23,25)(H2,22,24,27)