2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-prop-2-enylsulfanylphenyl)propanamide

Systemtic Name: 2-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-prop-2-enylsulfanylphenyl)propanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide CAS Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]-N-[2-(prop-2-enylthio)phenyl]propanamide IUPAC Name: 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]-N-(2-prop-2-enylsulfanylphenyl)propanamide Traditional Name: N-[2-(allylthio)phenyl]-2-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylthio]propionamide Formula: C21H23N3O2S3 MolecularWeight: 445.62122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=CC=CC=C3SCC=C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)NC3=CC=CC=C3SCC=C)C

InChI

InChI=1S/C21H23N3O2S3/c1-5-10-27-16-9-7-6-8-15(16)22-19(25)14(4)28-11-17-23-20(26)18-12(2)13(3)29-21(18)24-17/h5-9,14H,1,10-11H2,2-4H3,(H,22,25)(H,23,24,26)