N-(2-azanylethyl)-3-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide

Systemtic Name: N-(2-azanylethyl)-3-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(2-aminoethyl)-3-[2-(4-chloroanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(2-aminoethyl)-3-[[2-(4-chloroanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(2-aminoethyl)-3-[2-(4-chloroanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(2-aminoethyl)-3-[[2-(4-chloroanilino)-2-keto-ethyl]thio]propionamide Formula: C13H18ClN3O2S MolecularWeight: 315.81892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CSCCC(=O)NCCN)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CSCCC(=O)NCCN)Cl

InChI

InChI=1S/C13H18ClN3O2S/c14-10-1-3-11(4-2-10)17-13(19)9-20-8-5-12(18)16-7-6-15/h1-4H,5-9,15H2,(H,16,18)(H,17,19)