2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-chroman-4-yl-benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(3,4-dihydro-2H-1-benzopyran-4-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-chroman-4-yl-benzamide Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=CC=CC=C2C1NC(=O)C3=CC=CC=C3SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C28H32N2O3S/c31-26(30-28-14-18-11-19(15-28)13-20(12-18)16-28)17-34-25-8-4-2-6-22(25)27(32)29-23-9-10-33-24-7-3-1-5-21(23)24/h1-8,18-20,23H,9-17H2,(H,29,32)(H,30,31)