N-[(E)-1-(1-adamantyl)ethylideneamino]-3-chloranyl-6-methyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-3-chloranyl-6-methyl-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-3-chloro-6-methyl-benzothiophene-2-carboxamide CAS Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-3-chloro-6-methyl-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-1-(1-adamantyl)ethylideneamino]-3-chloro-6-methyl-benzothiophene-2-carboxamide Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(S2)C(=O)NN=C(C)C34CC5CC(C3)CC(C5)C4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(S2)C(=O)N/N=C(\C)/C34CC5CC(C3)CC(C5)C4)Cl

InChI

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