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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propionamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C20H19N5O2S/c1-12(18-22-15-8-4-5-9-16(15)23-18)21-17(26)10-11-25-19(27)13-6-2-3-7-14(13)24-20(25)28/h2-9,12H,10-11H2,1H3,(H,21,26)(H,22,23)(H,24,28)/t12-/m0/s1