(2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamothioylamino)pentanamide

Systemtic Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamothioylamino)pentanamide Openeye Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(1-naphthylcarbamothioylamino)pentanamide CAS Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-[[(1-naphthalenylamino)-sulfanylidenemethyl]amino]pentanamide IUPAC Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-(naphthalen-1-ylcarbamothioylamino)pentanamide Traditional Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(1-naphthylthiocarbamoylamino)valeramide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CNC2=CC=CC=C21)C=O)NC(=S)NC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C=O)NC(=S)NC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C28H30N4O2S/c1-3-18(2)26(32-28(35)31-25-14-8-10-19-9-4-5-11-22(19)25)27(34)30-21(17-33)15-20-16-29-24-13-7-6-12-23(20)24/h4-14,16-18,21,26,29H,3,15H2,1-2H3,(H,30,34)(H2,31,32,35)/t18?,21-,26+/m1/s1