(4-propan-2-ylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate

Systemtic Name: (4-propan-2-ylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-2-[(4-isopropylphenyl)methyl]isothiourea CAS Name: N'-(4-chlorophenyl)carbamimidothioic acid (4-propan-2-ylphenyl)methyl ester IUPAC Name: (4-propan-2-ylphenyl)methyl N'-(4-chlorophenyl)carbamimidothioate Traditional Name: 3-(4-chlorophenyl)-2-(4-isopropylbenzyl)isothiourea Formula: C17H19ClN2S MolecularWeight: 318.86416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC(=NC2=CC=C(C=C2)Cl)N

InChI

InChI=1S/C17H19ClN2S/c1-12(2)14-5-3-13(4-6-14)11-21-17(19)20-16-9-7-15(18)8-10-16/h3-10,12H,11H2,1-2H3,(H2,19,20)