[4-[3-(4-chlorophenyl)propanoylamino]-3,5-diethyl-phenyl] thiocyanate

Systemtic Name: [4-[3-(4-chlorophenyl)propanoylamino]-3,5-diethyl-phenyl] thiocyanate Openeye Name: [4-[3-(4-chlorophenyl)propanoylamino]-3,5-diethyl-phenyl] thiocyanate CAS Name: thiocyanic acid [4-[[3-(4-chlorophenyl)-1-oxopropyl]amino]-3,5-diethylphenyl] ester IUPAC Name: [4-[3-(4-chlorophenyl)propanoylamino]-3,5-diethylphenyl] thiocyanate Traditional Name: thiocyanic acid [4-[3-(4-chlorophenyl)propanoylamino]-3,5-diethyl-phenyl] ester Formula: C20H21ClN2OS MolecularWeight: 372.91154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1NC(=O)CCC2=CC=C(C=C2)Cl)CC)SC#N

Isomeric SMILES

CCC1=CC(=CC(=C1NC(=O)CCC2=CC=C(C=C2)Cl)CC)SC#N

InChI

InChI=1S/C20H21ClN2OS/c1-3-15-11-18(25-13-22)12-16(4-2)20(15)23-19(24)10-7-14-5-8-17(21)9-6-14/h5-6,8-9,11-12H,3-4,7,10H2,1-2H3,(H,23,24)