N-[4-(2-phenylsulfanylethylcarbamothioylamino)phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-(2-phenylsulfanylethylcarbamothioylamino)phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-(2-phenylsulfanylethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-(2-phenylsulfanylethylcarbamothioylamino)phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-(phenylthio)ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C18H17N5OS3 MolecularWeight: 415.55548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C18H17N5OS3/c24-17(16-12-27-23-22-16)20-13-6-8-14(9-7-13)21-18(25)19-10-11-26-15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,20,24)(H2,19,21,25)