N-[4-oxidanylidene-4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butyl]adamantane-1-carboxamide

Systemtic Name: N-[4-oxidanylidene-4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butyl]adamantane-1-carboxamide Openeye Name: N-[4-[(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-4-oxo-butyl]adamantane-1-carboxamide CAS Name: N-[4-oxo-4-[[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]amino]butyl]-1-adamantanecarboxamide IUPAC Name: N-[4-oxo-4-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butyl]adamantane-1-carboxamide Traditional Name: N-[4-[[5-(allylthio)-1,3,4-thiadiazol-2-yl]amino]-4-keto-butyl]adamantane-1-carboxamide Formula: C20H28N4O2S2 MolecularWeight: 420.59192

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)CCCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H28N4O2S2/c1-2-6-27-19-24-23-18(28-19)22-16(25)4-3-5-21-17(26)20-10-13-7-14(11-20)9-15(8-13)12-20/h2,13-15H,1,3-12H2,(H,21,26)(H,22,23,25)