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

Systemtic Name: methyl N'-(4-dimethylaminophenyl)-N-(2-hex-1-ynylphenyl)-N-methyl-carbamimidothioate Openeye Name: 3-(4-dimethylaminophenyl)-1-(2-hex-1-ynylphenyl)-1,2-dimethyl-isothiourea CAS Name: N'-(4-dimethylaminophenyl)-N-(2-hex-1-ynylphenyl)-N-methylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-dimethylaminophenyl)-N-(2-hex-1-ynylphenyl)-N-methylcarbamimidothioate Traditional Name: 3-(4-dimethylaminophenyl)-1-(2-hex-1-ynylphenyl)-1,2-dimethyl-isothiourea Formula: C23H29N3S MolecularWeight: 379.56146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3S/c1-6-7-8-9-12-19-13-10-11-14-22(19)26(4)23(27-5)24-20-15-17-21(18-16-20)25(2)3/h10-11,13-18H,6-8H2,1-5H3