N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[[(3,5-dimethylphenyl)methylamino]-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(3,5-dimethylphenyl)methylcarbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(3,5-dimethylbenzyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CNC(=S)NC2=CC=C(C=C2)NC(=O)C3=CSN=N3)C

InChI

InChI=1S/C19H19N5OS2/c1-12-7-13(2)9-14(8-12)10-20-19(26)22-16-5-3-15(4-6-16)21-18(25)17-11-27-24-23-17/h3-9,11H,10H2,1-2H3,(H,21,25)(H2,20,22,26)