(2S)-2-acetamido-N-(1-adamantyl)-3-(4-methoxyphenyl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-methoxyphenyl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-methoxyphenyl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-methoxyphenyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(4-methoxyphenyl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(4-methoxyphenyl)thio]propionamide Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1=CC=C(C=C1)OC)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(=O)N[C@H](CSC1=CC=C(C=C1)OC)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N2O3S/c1-14(25)23-20(13-28-19-5-3-18(27-2)4-6-19)21(26)24-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,15-17,20H,7-13H2,1-2H3,(H,23,25)(H,24,26)/t15?,16?,17?,20-,22?/m1/s1