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

Systemtic Name: N-(2,3-dimethylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylsulfanyl)acetamide CAS Name: N-(2,3-dimethylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylthio)acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylsulfanyl)acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CSC2=NC=NC3=C2C4=C(S3)CCCC4)C

InChI

InChI=1S/C20H21N3OS2/c1-12-6-5-8-15(13(12)2)23-17(24)10-25-19-18-14-7-3-4-9-16(14)26-20(18)22-11-21-19/h5-6,8,11H,3-4,7,9-10H2,1-2H3,(H,23,24)