N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[5-[[anilino(sulfanylidene)methyl]amino]-1,3,4-thiadiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[5-(phenylthiocarbamoylamino)-1,3,4-thiadiazol-2-yl]adamantane-1-carboxamide Formula: C20H23N5OS2 MolecularWeight: 413.55952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C20H23N5OS2/c26-16(20-9-12-6-13(10-20)8-14(7-12)11-20)22-18-24-25-19(28-18)23-17(27)21-15-4-2-1-3-5-15/h1-5,12-14H,6-11H2,(H,22,24,26)(H2,21,23,25,27)