2-[[1-(2,3-dimethylphenyl)-3-(2-methylphenyl)but-3-enyl]carbamothioylamino]ethyl ethanoate

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-3-(2-methylphenyl)but-3-enyl]carbamothioylamino]ethyl ethanoate Openeye Name: 2-[[1-(2,3-dimethylphenyl)-3-(o-tolyl)but-3-enyl]carbamothioylamino]ethyl acetate CAS Name: acetic acid 2-[[[[1-(2,3-dimethylphenyl)-3-(2-methylphenyl)but-3-enyl]amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[[1-(2,3-dimethylphenyl)-3-(2-methylphenyl)but-3-enyl]carbamothioylamino]ethyl acetate Traditional Name: acetic acid 2-[[1-(2,3-dimethylphenyl)-3-(o-tolyl)but-3-enyl]thiocarbamoylamino]ethyl ester Formula: C24H30N2O2S MolecularWeight: 410.5722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(CC(=C)C2=CC=CC=C2C)NC(=S)NCCOC(=O)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C(CC(=C)C2=CC=CC=C2C)NC(=S)NCCOC(=O)C)C

InChI

InChI=1S/C24H30N2O2S/c1-16-10-8-12-22(19(16)4)23(26-24(29)25-13-14-28-20(5)27)15-18(3)21-11-7-6-9-17(21)2/h6-12,23H,3,13-15H2,1-2,4-5H3,(H2,25,26,29)