4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-[(4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C18H27N5OS3 MolecularWeight: 425.63488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=S)NCCCSC)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CN3CCN(CC3)C(=S)NCCCSC)C

InChI

InChI=1S/C18H27N5OS3/c1-12-13(2)27-17-15(12)16(24)20-14(21-17)11-22-6-8-23(9-7-22)18(25)19-5-4-10-26-3/h4-11H2,1-3H3,(H,19,25)(H,20,21,24)