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

Systemtic Name: [3-[2-(3H-indol-3-yl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-phenyl-methanone Openeye Name: [3-[2-(3H-indol-3-yl)ethyl]-2,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-1-yl]-phenyl-methanone CAS Name: [3-[2-(3H-indol-3-yl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-phenylmethanone IUPAC Name: [3-[2-(3H-indol-3-yl)ethyl]-2,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-phenylmethanone Traditional Name: [3-[2-(3H-indol-3-yl)ethyl]-2,4,5,6,7,8-hexahydrobenzothiopheno[2,3-d]pyrimidin-1-yl]-phenyl-methanone Formula: C27H27N3OS MolecularWeight: 441.58778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C3=C(S2)N(CN(C3)CCC4C=NC5=CC=CC=C45)C(=O)C6=CC=CC=C6

Isomeric SMILES

C1CCC2=C(C1)C3=C(S2)N(CN(C3)CCC4C=NC5=CC=CC=C45)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C27H27N3OS/c31-26(19-8-2-1-3-9-19)30-18-29(15-14-20-16-28-24-12-6-4-10-21(20)24)17-23-22-11-5-7-13-25(22)32-27(23)30/h1-4,6,8-10,12,16,20H,5,7,11,13-15,17-18H2