methyl N'-(4-chlorophenyl)-N-(2-hex-1-ynylphenyl)-N-methyl-carbamimidothioate

Systemtic Name: methyl N'-(4-chlorophenyl)-N-(2-hex-1-ynylphenyl)-N-methyl-carbamimidothioate Openeye Name: 3-(4-chlorophenyl)-1-(2-hex-1-ynylphenyl)-1,2-dimethyl-isothiourea CAS Name: N'-(4-chlorophenyl)-N-(2-hex-1-ynylphenyl)-N-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-chlorophenyl)-N-(2-hex-1-ynylphenyl)-N-methylcarbamimidothioate Traditional Name: 3-(4-chlorophenyl)-1-(2-hex-1-ynylphenyl)-1,2-dimethyl-isothiourea Formula: C21H23ClN2S MolecularWeight: 370.93872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=CC=C1N(C)C(=NC2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CCCCC#CC1=CC=CC=C1N(C)C(=NC2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C21H23ClN2S/c1-4-5-6-7-10-17-11-8-9-12-20(17)24(2)21(25-3)23-19-15-13-18(22)14-16-19/h8-9,11-16H,4-6H2,1-3H3