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

Systemtic Name: [3-(3-imidazol-1-ylpropyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-phenyl-methanone Openeye Name: [3-(3-imidazol-1-ylpropyl)-2,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-1-yl]-phenyl-methanone CAS Name: [3-[3-(1-imidazolyl)propyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-phenylmethanone IUPAC Name: [3-(3-imidazol-1-ylpropyl)-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-phenylmethanone Traditional Name: [3-(3-imidazol-1-ylpropyl)-2,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-1-yl]-phenyl-methanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N(CN(C3)CCCN4C=CN=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N(CN(C3)CCCN4C=CN=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C23H26N4OS/c28-22(18-7-2-1-3-8-18)27-17-26(13-6-12-25-14-11-24-16-25)15-20-19-9-4-5-10-21(19)29-23(20)27/h1-3,7-8,11,14,16H,4-6,9-10,12-13,15,17H2