N-(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-4-(4-ethylphenyl)benzamide

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-4-(4-ethylphenyl)benzamide Openeye Name: N-[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]-4-(4-ethylphenyl)benzamide CAS Name: N-(1-amino-3-mercapto-1-oxopropan-2-yl)-4-(4-ethylphenyl)benzamide IUPAC Name: N-(1-amino-1-oxo-3-sulfanylpropan-2-yl)-4-(4-ethylphenyl)benzamide Traditional Name: N-[2-amino-2-keto-1-(mercaptomethyl)ethyl]-4-(4-ethylphenyl)benzamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CS)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CS)C(=O)N

InChI

InChI=1S/C18H20N2O2S/c1-2-12-3-5-13(6-4-12)14-7-9-15(10-8-14)18(22)20-16(11-23)17(19)21/h3-10,16,23H,2,11H2,1H3,(H2,19,21)(H,20,22)