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

Systemtic Name: N-[4-[2-(4-ethylphenyl)ethylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[2-(4-ethylphenyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[2-(4-ethylphenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[2-(4-ethylphenyl)ethylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[2-(4-ethylphenyl)ethylthiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

Isomeric SMILES

CCC1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3

InChI

InChI=1S/C20H21N5OS2/c1-2-14-3-5-15(6-4-14)11-12-21-20(27)23-17-9-7-16(8-10-17)22-19(26)18-13-28-25-24-18/h3-10,13H,2,11-12H2,1H3,(H,22,26)(H2,21,23,27)