N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butyl]adamantane-1-carboxamide Openeye Name: N-[4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-[[4-(4-methoxyphenyl)-2-thiazolyl]amino]-4-oxobutyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]adamantane-1-carboxamide Traditional Name: N-[4-keto-4-[[4-(4-methoxyphenyl)thiazol-2-yl]amino]butyl]adamantane-1-carboxamide Formula: C25H31N3O3S MolecularWeight: 453.59694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CCCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H31N3O3S/c1-31-20-6-4-19(5-7-20)21-15-32-24(27-21)28-22(29)3-2-8-26-23(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h4-7,15-18H,2-3,8-14H2,1H3,(H,26,30)(H,27,28,29)