1-(4-butan-2-ylphenyl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Openeye Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[4-[(3,5-dimethyl-1-pyrazolyl)methyl]phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]thiourea Traditional Name: 1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CN3C(=CC(=N3)C)C

InChI

InChI=1S/C23H28N4S/c1-5-16(2)20-8-12-22(13-9-20)25-23(28)24-21-10-6-19(7-11-21)15-27-18(4)14-17(3)26-27/h6-14,16H,5,15H2,1-4H3,(H2,24,25,28)