N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]amino]propyl]adamantane-1-carboxamide CAS Name: N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]amino]propyl]adamantane-1-carboxamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N4O2S/c1-14-2-4-18(5-3-14)20-26-27-22(30-20)25-19(28)6-7-24-21(29)23-11-15-8-16(12-23)10-17(9-15)13-23/h2-5,15-17H,6-13H2,1H3,(H,24,29)(H,25,27,28)