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

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-3-phenyl-but-3-enyl]carbamothioylamino]ethyl ethanoate Openeye Name: 2-[[1-(2,3-dimethylphenyl)-3-phenyl-but-3-enyl]carbamothioylamino]ethyl acetate CAS Name: acetic acid 2-[[[[1-(2,3-dimethylphenyl)-3-phenylbut-3-enyl]amino]-sulfanylidenemethyl]amino]ethyl ester IUPAC Name: 2-[[1-(2,3-dimethylphenyl)-3-phenylbut-3-enyl]carbamothioylamino]ethyl acetate Traditional Name: acetic acid 2-[[1-(2,3-dimethylphenyl)-3-phenyl-but-3-enyl]thiocarbamoylamino]ethyl ester Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O2S/c1-16-9-8-12-21(18(16)3)22(15-17(2)20-10-6-5-7-11-20)25-23(28)24-13-14-27-19(4)26/h5-12,22H,2,13-15H2,1,3-4H3,(H2,24,25,28)