1-(4-butan-2-ylphenyl)-3-[2-(4-chlorophenyl)sulfanylphenyl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[2-(4-chlorophenyl)sulfanylphenyl]thiourea Openeye Name: 1-[2-(4-chlorophenyl)sulfanylphenyl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[2-[(4-chlorophenyl)thio]phenyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[2-(4-chlorophenyl)sulfanylphenyl]thiourea Traditional Name: 1-[2-[(4-chlorophenyl)thio]phenyl]-3-(4-sec-butylphenyl)thiourea Formula: C23H23ClN2S2 MolecularWeight: 427.02512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C23H23ClN2S2/c1-3-16(2)17-8-12-19(13-9-17)25-23(27)26-21-6-4-5-7-22(21)28-20-14-10-18(24)11-15-20/h4-16H,3H2,1-2H3,(H2,25,26,27)