1-(4-butylphenyl)-3-[4-(2,5-dimethylphenyl)sulfanylphenyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[4-(2,5-dimethylphenyl)sulfanylphenyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[4-(2,5-dimethylphenyl)sulfanylphenyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[4-[(2,5-dimethylphenyl)thio]phenyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[4-(2,5-dimethylphenyl)sulfanylphenyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[4-[(2,5-dimethylphenyl)thio]phenyl]thiourea Formula: C25H28N2S2 MolecularWeight: 420.63322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)SC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C25H28N2S2/c1-4-5-6-20-9-11-21(12-10-20)26-25(28)27-22-13-15-23(16-14-22)29-24-17-18(2)7-8-19(24)3/h7-17H,4-6H2,1-3H3,(H2,26,27,28)