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

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-[(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]amino]butan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)amino]butan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-[[5-(allylthio)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]adamantane-1-carboxamide Formula: C21H30N4O2S2 MolecularWeight: 434.6185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NN=C(S1)SCC=C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NN=C(S1)SCC=C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N4O2S2/c1-4-5-28-20-25-24-19(29-20)23-17(26)16(12(2)3)22-18(27)21-9-13-6-14(10-21)8-15(7-13)11-21/h4,12-16H,1,5-11H2,2-3H3,(H,22,27)(H,23,24,26)/t13?,14?,15?,16-,21?/m0/s1