N-[4-[(3-azanyl-5-chloranyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide

Systemtic Name: N-[4-[(3-azanyl-5-chloranyl-phenyl)carbamothioylamino]phenyl]-1,2,3-thiadiazole-4-carboxamide Openeye Name: N-[4-[(3-amino-5-chloro-phenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide CAS Name: N-[4-[[(3-amino-5-chloroanilino)-sulfanylidenemethyl]amino]phenyl]-4-thiadiazolecarboxamide IUPAC Name: N-[4-[(3-amino-5-chlorophenyl)carbamothioylamino]phenyl]thiadiazole-4-carboxamide Traditional Name: N-[4-[(3-amino-5-chloro-phenyl)thiocarbamoylamino]phenyl]thiadiazole-4-carboxamide Formula: C16H13ClN6OS2 MolecularWeight: 404.89702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CC(=C3)N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CSN=N2)NC(=S)NC3=CC(=CC(=C3)N)Cl

InChI

InChI=1S/C16H13ClN6OS2/c17-9-5-10(18)7-13(6-9)21-16(25)20-12-3-1-11(2-4-12)19-15(24)14-8-26-23-22-14/h1-8H,18H2,(H,19,24)(H2,20,21,25)