[4-(phenethylcarbamothioylamino)phenyl] thiocyanate

Systemtic Name: [4-(phenethylcarbamothioylamino)phenyl] thiocyanate Openeye Name: [4-(phenethylcarbamothioylamino)phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[(phenethylamino)-sulfanylidenemethyl]amino]phenyl] ester IUPAC Name: [4-(phenethylcarbamothioylamino)phenyl] thiocyanate Traditional Name: thiocyanic acid [4-(phenethylthiocarbamoylamino)phenyl] ester Formula: C16H15N3S2 MolecularWeight: 313.4404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)SC#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=S)NC2=CC=C(C=C2)SC#N

InChI

InChI=1S/C16H15N3S2/c17-12-21-15-8-6-14(7-9-15)19-16(20)18-11-10-13-4-2-1-3-5-13/h1-9H,10-11H2,(H2,18,19,20)