N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[3-(4-chlorophenyl)sulfanylpropanoylamino]methyl]benzamide

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[3-(4-chlorophenyl)sulfanylpropanoylamino]methyl]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-[[3-(4-chlorophenyl)sulfanylpropanoylamino]methyl]benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-[[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-[[3-(4-chlorophenyl)sulfanylpropanoylamino]methyl]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-[[3-[(4-chlorophenyl)thio]propanoylamino]methyl]benzamide Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCSC2=CC=C(C=C2)Cl)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCSC2=CC=C(C=C2)Cl)C(=O)NCC(=O)N

InChI

InChI=1S/C19H20ClN3O3S/c20-15-5-7-16(8-6-15)27-10-9-18(25)22-11-13-1-3-14(4-2-13)19(26)23-12-17(21)24/h1-8H,9-12H2,(H2,21,24)(H,22,25)(H,23,26)