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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c26-19(18-14-28-25-24-18)22-16-9-11-17(12-10-16)23-20(27)21-13-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-12,14H,4-5,8,13H2,(H,22,26)(H2,21,23,27)