N-[4-chloranyl-3-[(4-methylphenyl)methylsulfanyl]phenyl]-2-methyl-thiophene-3-carbothioamide

Systemtic Name: N-[4-chloranyl-3-[(4-methylphenyl)methylsulfanyl]phenyl]-2-methyl-thiophene-3-carbothioamide Openeye Name: N-[4-chloro-3-(p-tolylmethylsulfanyl)phenyl]-2-methyl-thiophene-3-carbothioamide CAS Name: N-[4-chloro-3-[(4-methylphenyl)methylthio]phenyl]-2-methyl-3-thiophenecarbothioamide IUPAC Name: N-[4-chloro-3-[(4-methylphenyl)methylsulfanyl]phenyl]-2-methylthiophene-3-carbothioamide Traditional Name: N-[4-chloro-3-[(4-methylbenzyl)thio]phenyl]-2-methyl-thiophene-3-carbothioamide Formula: C20H18ClNS3 MolecularWeight: 404.01162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=C(C=CC(=C2)NC(=S)C3=C(SC=C3)C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=C(C=CC(=C2)NC(=S)C3=C(SC=C3)C)Cl

InChI

InChI=1S/C20H18ClNS3/c1-13-3-5-15(6-4-13)12-25-19-11-16(7-8-18(19)21)22-20(23)17-9-10-24-14(17)2/h3-11H,12H2,1-2H3,(H,22,23)