N-[2-(1-adamantylsulfanyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-[2-(1-adamantylsulfanyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Openeye Name: N-[2-(1-adamantylsulfanyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide CAS Name: N-[2-(1-adamantylthio)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-[2-(1-adamantylsulfanyl)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Traditional Name: N-[2-(1-adamantylthio)ethyl]-5-(2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Formula: C25H30N2O2S2 MolecularWeight: 454.6479

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=CC=CC=C2N1C3=CC=C(S3)C(=O)NCCSC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COC2=CC=CC=C2N1C3=CC=C(S3)C(=O)NCCSC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H30N2O2S2/c28-24(26-7-10-30-25-14-17-11-18(15-25)13-19(12-17)16-25)22-5-6-23(31-22)27-8-9-29-21-4-2-1-3-20(21)27/h1-6,17-19H,7-16H2,(H,26,28)