methyl 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]carbamothioylamino]butanoate CAS Name: 4-[[[4-[(2,5-dimethylphenyl)thio]anilino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,5-dimethylphenyl)sulfanylphenyl]carbamothioylamino]butanoate Traditional Name: 4-[[4-[(2,5-dimethylphenyl)thio]phenyl]thiocarbamoylamino]butyric acid methyl ester Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C20H24N2O2S2/c1-14-6-7-15(2)18(13-14)26-17-10-8-16(9-11-17)22-20(25)21-12-4-5-19(23)24-3/h6-11,13H,4-5,12H2,1-3H3,(H2,21,22,25)