N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(3-chloro-4-methyl-phenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(3-chloro-4-methylphenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C17H14ClN5OS2 MolecularWeight: 403.90896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN5OS2/c1-10-2-3-13(8-14(10)18)21-17(25)20-12-6-4-11(5-7-12)19-16(24)15-9-26-23-22-15/h2-9H,1H3,(H,19,24)(H2,20,21,25)