N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(allylamino)-2-oxo-ethyl]sulfanyl-4-phenyl-thiazol-5-yl]adamantane-1-carboxamide CAS Name: N-[2-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]-4-phenyl-5-thiazolyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanyl-4-phenyl-1,3-thiazol-5-yl]adamantane-1-carboxamide Traditional Name: N-[2-[[2-(allylamino)-2-keto-ethyl]thio]-4-phenyl-thiazol-5-yl]adamantane-1-carboxamide Formula: C25H29N3O2S2 MolecularWeight: 467.64666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSC1=NC(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

Isomeric SMILES

C=CCNC(=O)CSC1=NC(=C(S1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5

InChI

InChI=1S/C25H29N3O2S2/c1-2-8-26-20(29)15-31-24-27-21(19-6-4-3-5-7-19)22(32-24)28-23(30)25-12-16-9-17(13-25)11-18(10-16)14-25/h2-7,16-18H,1,8-15H2,(H,26,29)(H,28,30)