2-[[(2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]amino]-N-propyl-benzamide

Systemtic Name: 2-[[(2S)-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoyl]amino]-N-propyl-benzamide Openeye Name: 2-[[(2S)-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoyl]amino]-N-propyl-benzamide CAS Name: 2-[[(2S)-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]-N-propylbenzamide IUPAC Name: 2-[[(2S)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoyl]amino]-N-propylbenzamide Traditional Name: 2-[[(2S)-2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoyl]amino]-N-propyl-benzamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC=CC=C1NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCCNC(=O)C1=CC=CC=C1NC(=O)[C@H](C)SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27N3O3S/c1-4-13-23-22(28)18-7-5-6-8-19(18)25-21(27)16(3)29-14-20(26)24-17-11-9-15(2)10-12-17/h5-12,16H,4,13-14H2,1-3H3,(H,23,28)(H,24,26)(H,25,27)/t16-/m0/s1