S-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl] carbamothioate

Systemtic Name: S-[2-chloranyl-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl] carbamothioate Openeye Name: S-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl] carbamothioate CAS Name: carbamothioic acid S-[2-chloro-4-[[(1-cyclohexa-1,5-dienylamino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: S-[2-chloro-4-(cyclohexa-1,5-dien-1-ylcarbamothioylamino)phenyl] carbamothioate Traditional Name: thiocarbamic acid S-[2-chloro-4-(cyclohexa-1,5-dien-1-ylthiocarbamoylamino)phenyl] ester Formula: C14H14ClN3OS2 MolecularWeight: 339.86346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)SC(=O)N)Cl

Isomeric SMILES

C1CC=C(C=C1)NC(=S)NC2=CC(=C(C=C2)SC(=O)N)Cl

InChI

InChI=1S/C14H14ClN3OS2/c15-11-8-10(6-7-12(11)21-13(16)19)18-14(20)17-9-4-2-1-3-5-9/h2,4-8H,1,3H2,(H2,16,19)(H2,17,18,20)