(2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-isopropylphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-propan-2-ylphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(4-propan-2-ylphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-3-(p-cumenylthio)-N-piperonyl-propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCC(C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)SC[C@H](C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C

InChI

InChI=1S/C22H26N2O4S/c1-14(2)17-5-7-18(8-6-17)29-12-19(24-15(3)25)22(26)23-11-16-4-9-20-21(10-16)28-13-27-20/h4-10,14,19H,11-13H2,1-3H3,(H,23,26)(H,24,25)/t19-/m1/s1