2-azido-2-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]ethanamide

Systemtic Name: 2-azido-2-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]ethanamide Openeye Name: 2-azido-2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]acetamide CAS Name: 2-azido-2-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl]acetamide IUPAC Name: 2-azido-2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl]acetamide Traditional Name: 2-azido-2-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl]acetamide Formula: C15H15ClN6OS MolecularWeight: 362.8372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C(C(=O)N)N=[N+]=[N-])Cl

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)C(C(=O)N)N=[N+]=[N-])Cl

InChI

InChI=1S/C15H15ClN6OS/c16-12-8-10(6-7-11(12)13(14(17)23)21-22-18)20-15(24)19-9-4-2-1-3-5-9/h2,4-8,13H,1,3H2,(H2,17,23)(H2,19,20,24)