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

Systemtic Name: N-(2-azanylethyl)-3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanamide Openeye Name: N-(2-aminoethyl)-3-[2-(3-methylanilino)-2-oxo-ethyl]sulfanyl-propanamide CAS Name: N-(2-aminoethyl)-3-[[2-(3-methylanilino)-2-oxoethyl]thio]propanamide IUPAC Name: N-(2-aminoethyl)-3-[2-(3-methylanilino)-2-oxoethyl]sulfanylpropanamide Traditional Name: N-(2-aminoethyl)-3-[[2-keto-2-(m-toluidino)ethyl]thio]propionamide Formula: C14H21N3O2S MolecularWeight: 295.40044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)NCCN

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCCC(=O)NCCN

InChI

InChI=1S/C14H21N3O2S/c1-11-3-2-4-12(9-11)17-14(19)10-20-8-5-13(18)16-7-6-15/h2-4,9H,5-8,10,15H2,1H3,(H,16,18)(H,17,19)