N'-[(2S)-3-methyl-1-(phenethylamino)-1-sulfanylidene-pentan-2-yl]butanediamide

Systemtic Name: N'-[(2S)-3-methyl-1-(phenethylamino)-1-sulfanylidene-pentan-2-yl]butanediamide Openeye Name: N'-[(1S)-2-methyl-1-(phenethylcarbamothioyl)butyl]butanediamide CAS Name: N'-[(2S)-3-methyl-1-(phenethylamino)-1-sulfanylidenepentan-2-yl]butanediamide IUPAC Name: N'-[(2S)-3-methyl-1-(phenethylamino)-1-sulfanylidenepentan-2-yl]butanediamide Traditional Name: N'-[(1S)-2-methyl-1-(phenethylthiocarbamoyl)butyl]succinamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=S)NCCC1=CC=CC=C1)NC(=O)CCC(=O)N

Isomeric SMILES

CCC(C)[C@@H](C(=S)NCCC1=CC=CC=C1)NC(=O)CCC(=O)N

InChI

InChI=1S/C18H27N3O2S/c1-3-13(2)17(21-16(23)10-9-15(19)22)18(24)20-12-11-14-7-5-4-6-8-14/h4-8,13,17H,3,9-12H2,1-2H3,(H2,19,22)(H,20,24)(H,21,23)/t13?,17-/m0/s1