N-[2-(1-adamantylsulfanyl)ethyl]-5-(6-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide

Systemtic Name: N-[2-(1-adamantylsulfanyl)ethyl]-5-(6-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Openeye Name: N-[2-(1-adamantylsulfanyl)ethyl]-5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide CAS Name: N-[2-(1-adamantylthio)ethyl]-5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)-2-thiophenecarboxamide IUPAC Name: N-[2-(1-adamantylsulfanyl)ethyl]-5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Traditional Name: N-[2-(1-adamantylthio)ethyl]-5-(6-chloro-2,3-dihydro-1,4-benzoxazin-4-yl)thiophene-2-carboxamide Formula: C25H29ClN2O2S2 MolecularWeight: 489.09296

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(N1C3=CC=C(S3)C(=O)NCCSC45CC6CC(C4)CC(C6)C5)C=C(C=C2)Cl

Isomeric SMILES

C1COC2=C(N1C3=CC=C(S3)C(=O)NCCSC45CC6CC(C4)CC(C6)C5)C=C(C=C2)Cl

InChI

InChI=1S/C25H29ClN2O2S2/c26-19-1-2-21-20(12-19)28(6-7-30-21)23-4-3-22(32-23)24(29)27-5-8-31-25-13-16-9-17(14-25)11-18(10-16)15-25/h1-4,12,16-18H,5-11,13-15H2,(H,27,29)