N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)CCN4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H23N5O2S/c32-23(14-15-31-25(33)18-10-4-5-11-19(18)30-26(31)34)27-22(16-17-8-2-1-3-9-17)24-28-20-12-6-7-13-21(20)29-24/h1-13,22H,14-16H2,(H,27,32)(H,28,29)(H,30,34)/t22-/m0/s1