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

Systemtic Name: 2-[[3-(3-methylbutyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-naphthalen-2-yl-ethanamide Openeye Name: 2-[(3-isopentyl-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(2-naphthyl)acetamide CAS Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]-N-(2-naphthalenyl)acetamide IUPAC Name: 2-[[3-(3-methylbutyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]-N-naphthalen-2-ylacetamide Traditional Name: 2-[(3-isoamyl-4-keto-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl)thio]-N-(2-naphthyl)acetamide Formula: C27H29N3O2S2 MolecularWeight: 491.66806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=CC=CC=C4C=C3)SC5=C2CCCC5

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C1SCC(=O)NC3=CC4=CC=CC=C4C=C3)SC5=C2CCCC5

InChI

InChI=1S/C27H29N3O2S2/c1-17(2)13-14-30-26(32)24-21-9-5-6-10-22(21)34-25(24)29-27(30)33-16-23(31)28-20-12-11-18-7-3-4-8-19(18)15-20/h3-4,7-8,11-12,15,17H,5-6,9-10,13-14,16H2,1-2H3,(H,28,31)