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

Systemtic Name: N-(4-bromophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[(2-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)thio]acetamide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C19H18BrN3OS2/c1-11-21-18(17-14-4-2-3-5-15(14)26-19(17)22-11)25-10-16(24)23-13-8-6-12(20)7-9-13/h6-9H,2-5,10H2,1H3,(H,23,24)