N-[(2S)-3,3-dimethyl-1-oxidanylidene-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]butan-2-yl]quinoline-2-carboxamide

Systemtic Name: N-[(2S)-3,3-dimethyl-1-oxidanylidene-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]butan-2-yl]quinoline-2-carboxamide Openeye Name: N-[(1S)-2,2-dimethyl-1-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]propyl]quinoline-2-carboxamide CAS Name: N-[(2S)-3,3-dimethyl-1-oxo-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]butan-2-yl]-2-quinolinecarboxamide IUPAC Name: N-[(2S)-3,3-dimethyl-1-oxo-1-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]butan-2-yl]quinoline-2-carboxamide Traditional Name: N-[(1S)-2,2-dimethyl-1-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamoyl]propyl]quinaldamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=NNC(=S)S1)NC(=O)C2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)NC1=NNC(=S)S1)NC(=O)C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C18H19N5O2S2/c1-18(2,3)13(15(25)21-16-22-23-17(26)27-16)20-14(24)12-9-8-10-6-4-5-7-11(10)19-12/h4-9,13H,1-3H3,(H,20,24)(H,23,26)(H,21,22,25)/t13-/m1/s1