(2S)-N-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-(1-adamantyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)thio]propanamide IUPAC Name: (2S)-N-(1-adamantyl)-2-[(4-phenyl-5-sulfanylidene-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-(1-adamantyl)-2-[(4-phenyl-5-thioxo-1,3,4-thiadiazol-2-yl)thio]propionamide Formula: C21H25N3OS3 MolecularWeight: 431.6377

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN(C(=S)S4)C5=CC=CC=C5

Isomeric SMILES

C[C@@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NN(C(=S)S4)C5=CC=CC=C5

InChI

InChI=1S/C21H25N3OS3/c1-13(27-19-23-24(20(26)28-19)17-5-3-2-4-6-17)18(25)22-21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,13-16H,7-12H2,1H3,(H,22,25)/t13-,14?,15?,16?,21?/m0/s1