2-[[3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]ethanamide

Systemtic Name: 2-[[3-(4-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]ethanamide Openeye Name: N-[(E)-(4-methylsulfanylphenyl)methyleneamino]-2-[[4-oxo-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-[(E)-[4-(methylthio)phenyl]methylideneamino]acetamide IUPAC Name: 2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]-N-[(E)-[4-(methylthio)benzylidene]amino]acetamide Formula: C27H26N4O2S3 MolecularWeight: 534.71594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NN=CC4=CC=C(C=C4)SC)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C/C4=CC=C(C=C4)SC)SC5=C3CCCC5

InChI

InChI=1S/C27H26N4O2S3/c1-17-7-11-19(12-8-17)31-26(33)24-21-5-3-4-6-22(21)36-25(24)29-27(31)35-16-23(32)30-28-15-18-9-13-20(34-2)14-10-18/h7-15H,3-6,16H2,1-2H3,(H,30,32)/b28-15+