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

Systemtic Name: 1-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[4-(2,5-dimethylphenyl)sulfanylphenyl]thiourea CAS Name: 1-[4-[(2,5-dimethylphenyl)thio]phenyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[4-(2,5-dimethylphenyl)sulfanylphenyl]thiourea Traditional Name: 1-benzyl-3-[4-[(2,5-dimethylphenyl)thio]phenyl]thiourea Formula: C22H22N2S2 MolecularWeight: 378.55348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C22H22N2S2/c1-16-8-9-17(2)21(14-16)26-20-12-10-19(11-13-20)24-22(25)23-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H2,23,24,25)