(2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide

Systemtic Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]propanamide Openeye Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide CAS Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)thio]propanamide IUPAC Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]propanamide Traditional Name: (2S)-N-[2-(1H-indol-3-yl)ethyl]-2-[(4-keto-1H-quinazolin-2-yl)thio]propionamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CNC2=CC=CC=C21)SC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C[C@@H](C(=O)NCCC1=CNC2=CC=CC=C21)SC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H20N4O2S/c1-13(28-21-24-18-9-5-3-7-16(18)20(27)25-21)19(26)22-11-10-14-12-23-17-8-4-2-6-15(14)17/h2-9,12-13,23H,10-11H2,1H3,(H,22,26)(H,24,25,27)/t13-/m0/s1