(2S)-2-acetamido-N-(1-adamantyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide Openeye Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(9-ethylcarbazol-3-yl)sulfanyl-propanamide CAS Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(9-ethyl-3-carbazolyl)thio]propanamide IUPAC Name: (2S)-2-acetamido-N-(1-adamantyl)-3-(9-ethylcarbazol-3-yl)sulfanylpropanamide Traditional Name: (2S)-2-acetamido-N-(1-adamantyl)-3-[(9-ethylcarbazol-3-yl)thio]propionamide Formula: C29H35N3O2S MolecularWeight: 489.6721

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)SCC(C(=O)NC34CC5CC(C3)CC(C5)C4)NC(=O)C)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)SC[C@H](C(=O)NC34CC5CC(C3)CC(C5)C4)NC(=O)C)C6=CC=CC=C61

InChI

InChI=1S/C29H35N3O2S/c1-3-32-26-7-5-4-6-23(26)24-13-22(8-9-27(24)32)35-17-25(30-18(2)33)28(34)31-29-14-19-10-20(15-29)12-21(11-19)16-29/h4-9,13,19-21,25H,3,10-12,14-17H2,1-2H3,(H,30,33)(H,31,34)/t19?,20?,21?,25-,29?/m1/s1