N-[(E)-1-(1-adamantyl)propylideneamino]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-1-(1-adamantyl)propylideneamino]-3-chloro-benzothiophene-2-carboxamide Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC(=O)C1=C(C2=CC=CC=C2S1)Cl)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC/C(=N\NC(=O)C1=C(C2=CC=CC=C2S1)Cl)/C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H25ClN2OS/c1-2-18(22-10-13-7-14(11-22)9-15(8-13)12-22)24-25-21(26)20-19(23)16-5-3-4-6-17(16)27-20/h3-6,13-15H,2,7-12H2,1H3,(H,25,26)/b24-18+