2-[(3-chloranyl-4-thiocyanato-phenyl)-(phenylcarbonyl)amino]ethyl benzoate

Systemtic Name: 2-[(3-chloranyl-4-thiocyanato-phenyl)-(phenylcarbonyl)amino]ethyl benzoate Openeye Name: 2-(N-benzoyl-3-chloro-4-thiocyanato-anilino)ethyl benzoate CAS Name: benzoic acid 2-(N-benzoyl-3-chloro-4-thiocyanatoanilino)ethyl ester IUPAC Name: 2-(N-benzoyl-3-chloro-4-thiocyanatoanilino)ethyl benzoate Traditional Name: benzoic acid 2-(N-benzoyl-3-chloro-4-thiocyanato-anilino)ethyl ester Formula: C23H17ClN2O3S MolecularWeight: 436.91068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(CCOC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)SC#N)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(CCOC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)SC#N)Cl

InChI

InChI=1S/C23H17ClN2O3S/c24-20-15-19(11-12-21(20)30-16-25)26(22(27)17-7-3-1-4-8-17)13-14-29-23(28)18-9-5-2-6-10-18/h1-12,15H,13-14H2