N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)COC4=CC=CC=C43

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)CCN3C(=O)COC4=CC=CC=C43

InChI

InChI=1S/C22H24N4O3S/c1-30-13-11-17(22-24-15-6-2-3-7-16(15)25-22)23-20(27)10-12-26-18-8-4-5-9-19(18)29-14-21(26)28/h2-9,17H,10-14H2,1H3,(H,23,27)(H,24,25)/t17-/m0/s1