(2S)-2-acetamido-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide

Systemtic Name: (2S)-2-acetamido-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide Openeye Name: (2S)-2-acetamido-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide CAS Name: (2S)-2-acetamido-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide IUPAC Name: (2S)-2-acetamido-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(1H-indol-3-yl)propanamide Traditional Name: (2S)-2-acetamido-N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-(1H-indol-3-yl)propionamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H22N4O2S/c1-16(31)28-23(14-18-15-27-21-10-3-2-9-20(18)21)25(32)29-19-8-6-7-17(13-19)26-30-22-11-4-5-12-24(22)33-26/h2-13,15,23,27H,14H2,1H3,(H,28,31)(H,29,32)/t23-/m0/s1