N-cycloheptyl-2-[[3-(3,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-cycloheptyl-2-[[3-(3,4-dimethylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-cycloheptyl-2-[[3-(3,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-cycloheptyl-2-[[3-(3,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-cycloheptyl-2-[[3-(3,4-dimethylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-cycloheptyl-2-[[3-(3,4-dimethylphenyl)-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C27H33N3O2S2 MolecularWeight: 495.69982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4CCCCCC4)SC5=C3CCCC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4CCCCCC4)SC5=C3CCCC5)C

InChI

InChI=1S/C27H33N3O2S2/c1-17-13-14-20(15-18(17)2)30-26(32)24-21-11-7-8-12-22(21)34-25(24)29-27(30)33-16-23(31)28-19-9-5-3-4-6-10-19/h13-15,19H,3-12,16H2,1-2H3,(H,28,31)