5-(1-adamantylcarbonyl)-4-azanyl-2-[(4-methoxyphenyl)amino]thiophene-3-carbonitrile

Systemtic Name: 5-(1-adamantylcarbonyl)-4-azanyl-2-[(4-methoxyphenyl)amino]thiophene-3-carbonitrile Openeye Name: 5-(adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile CAS Name: 5-[1-adamantyl(oxo)methyl]-4-amino-2-(4-methoxyanilino)-3-thiophenecarbonitrile IUPAC Name: 5-(adamantane-1-carbonyl)-4-amino-2-(4-methoxyanilino)thiophene-3-carbonitrile Traditional Name: 5-(adamantane-1-carbonyl)-4-amino-2-(p-anisidino)thiophene-3-carbonitrile Formula: C23H25N3O2S MolecularWeight: 407.5285

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C34CC5CC(C3)CC(C5)C4)N)C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C34CC5CC(C3)CC(C5)C4)N)C#N

InChI

InChI=1S/C23H25N3O2S/c1-28-17-4-2-16(3-5-17)26-22-18(12-24)19(25)20(29-22)21(27)23-9-13-6-14(10-23)8-15(7-13)11-23/h2-5,13-15,26H,6-11,25H2,1H3