2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[(1S)-1-(4-ethylphenyl)-2-methyl-propyl]amino]methyl]-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyrimidin-4-one Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C(C)C)NCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C(C)C)NCC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2

InChI

InChI=1S/C23H29N3OS/c1-4-15-9-11-16(12-10-15)21(14(2)3)24-13-19-25-22(27)20-17-7-5-6-8-18(17)28-23(20)26-19/h9-12,14,21,24H,4-8,13H2,1-3H3,(H,25,26,27)/t21-/m0/s1