N-(3-chloranyl-2-methyl-phenyl)-2-[[4-oxidanylidene-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-[[4-oxidanylidene-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-[[4-oxo-3-(4-pyridylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-[[4-oxo-3-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-[[4-keto-3-(4-pyridylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C25H23ClN4O2S2 MolecularWeight: 511.05872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC5=CC=NC=C5

InChI

InChI=1S/C25H23ClN4O2S2/c1-15-18(26)6-4-7-19(15)28-21(31)14-33-25-29-23-22(17-5-2-3-8-20(17)34-23)24(32)30(25)13-16-9-11-27-12-10-16/h4,6-7,9-12H,2-3,5,8,13-14H2,1H3,(H,28,31)