N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]adamantane-1-carboxamide

Systemtic Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]adamantane-1-carboxamide Openeye Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methyleneamino]adamantane-1-carboxamide CAS Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)-1-cyclohexenyl]methylideneamino]-1-adamantanecarboxamide IUPAC Name: N-[(E)-[2-(1,3-benzoxazol-2-ylsulfanyl)cyclohexen-1-yl]methylideneamino]adamantane-1-carboxamide Traditional Name: N-[(E)-[2-(1,3-benzoxazol-2-ylthio)cyclohexen-1-yl]methyleneamino]adamantane-1-carboxamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C1)C=NNC(=O)C23CC4CC(C2)CC(C4)C3)SC5=NC6=CC=CC=C6O5

Isomeric SMILES

C1CCC(=C(C1)/C=N/NC(=O)C23CC4CC(C2)CC(C4)C3)SC5=NC6=CC=CC=C6O5

InChI

InChI=1S/C25H29N3O2S/c29-23(25-12-16-9-17(13-25)11-18(10-16)14-25)28-26-15-19-5-1-4-8-22(19)31-24-27-20-6-2-3-7-21(20)30-24/h2-3,6-7,15-18H,1,4-5,8-14H2,(H,28,29)/b26-15+