phenyl-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methanone

Systemtic Name: phenyl-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methanone Openeye Name: phenyl-(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)methanone CAS Name: phenyl-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methanone IUPAC Name: phenyl-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)methanone Traditional Name: phenyl-(4-phenyl-2-thioxo-1,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)methanone Formula: C23H20N2OS2 MolecularWeight: 404.5477

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H20N2OS2/c26-22(16-11-5-2-6-12-16)25-20(15-9-3-1-4-10-15)19-17-13-7-8-14-18(17)28-21(19)24-23(25)27/h1-6,9-12,20H,7-8,13-14H2,(H,24,27)