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

Systemtic Name: N-(1-azanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl)-4-(4-hexylphenyl)benzamide Openeye Name: N-[2-amino-2-oxo-1-(sulfanylmethyl)ethyl]-4-(4-hexylphenyl)benzamide CAS Name: N-(1-amino-3-mercapto-1-oxopropan-2-yl)-4-(4-hexylphenyl)benzamide IUPAC Name: N-(1-amino-1-oxo-3-sulfanylpropan-2-yl)-4-(4-hexylphenyl)benzamide Traditional Name: N-[2-amino-2-keto-1-(mercaptomethyl)ethyl]-4-(4-hexylphenyl)benzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CS)C(=O)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(CS)C(=O)N

InChI

InChI=1S/C22H28N2O2S/c1-2-3-4-5-6-16-7-9-17(10-8-16)18-11-13-19(14-12-18)22(26)24-20(15-27)21(23)25/h7-14,20,27H,2-6,15H2,1H3,(H2,23,25)(H,24,26)