1-(4-butylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(2S)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H24N4O2S/c1-3-4-5-16-6-10-18(11-7-16)23-21(28)25-24-20(26)15(2)27-19-12-8-17(14-22)9-13-19/h6-13,15H,3-5H2,1-2H3,(H,24,26)(H2,23,25,28)/t15-/m0/s1