4-[2-[(3-octyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(3-octyl-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(3-octyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(3-octyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(3-octyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-keto-3-octyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]acetyl]amino]benzamide Formula: C27H34N4O3S2 MolecularWeight: 526.71386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N)SC4=C2CCCC4

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)N)SC4=C2CCCC4

InChI

InChI=1S/C27H34N4O3S2/c1-2-3-4-5-6-9-16-31-26(34)23-20-10-7-8-11-21(20)36-25(23)30-27(31)35-17-22(32)29-19-14-12-18(13-15-19)24(28)33/h12-15H,2-11,16-17H2,1H3,(H2,28,33)(H,29,32)