1-(4-butylphenyl)-3-[4-(3-methylbutoxy)phenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[4-(3-methylbutoxy)phenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-(4-isopentyloxyphenyl)thiourea CAS Name: 1-(4-butylphenyl)-3-[4-(3-methylbutoxy)phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-(3-methylbutoxy)phenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-(4-isoamoxyphenyl)thiourea Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)OCCC(C)C

InChI

InChI=1S/C22H30N2OS/c1-4-5-6-18-7-9-19(10-8-18)23-22(26)24-20-11-13-21(14-12-20)25-16-15-17(2)3/h7-14,17H,4-6,15-16H2,1-3H3,(H2,23,24,26)