1-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[3-(4-chlorophenyl)sulfanyl-2-methyl-propyl]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[3-[(4-chlorophenyl)thio]-2-methylpropyl]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[3-(4-chlorophenyl)sulfanyl-2-methylpropyl]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-[3-[(4-chlorophenyl)thio]-2-methyl-propyl]-3-(2-ethyl-6-methyl-phenyl)thiourea Formula: C20H25ClN2S2 MolecularWeight: 393.0089

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NCC(C)CSC2=CC=C(C=C2)Cl)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NCC(C)CSC2=CC=C(C=C2)Cl)C

InChI

InChI=1S/C20H25ClN2S2/c1-4-16-7-5-6-15(3)19(16)23-20(24)22-12-14(2)13-25-18-10-8-17(21)9-11-18/h5-11,14H,4,12-13H2,1-3H3,(H2,22,23,24)