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

Systemtic Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxidanylidene-propan-2-yl]-3-methyl-2-(phenylcarbamothioylamino)pentanamide Openeye Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(phenylcarbamothioylamino)pentanamide CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methylpentanamide IUPAC Name: (2S)-N-[(2R)-1-(1H-indol-3-yl)-3-oxopropan-2-yl]-3-methyl-2-(phenylcarbamothioylamino)pentanamide Traditional Name: (2S)-N-[(1R)-1-formyl-2-(1H-indol-3-yl)ethyl]-3-methyl-2-(phenylthiocarbamoylamino)valeramide Formula: C24H28N4O2S MolecularWeight: 436.56972

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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=CC=C3

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C=O)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C24H28N4O2S/c1-3-16(2)22(28-24(31)27-18-9-5-4-6-10-18)23(30)26-19(15-29)13-17-14-25-21-12-8-7-11-20(17)21/h4-12,14-16,19,22,25H,3,13H2,1-2H3,(H,26,30)(H2,27,28,31)/t16?,19-,22+/m1/s1