N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(6-chloranyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(6-chloro-2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCN3C4=C(C=C(C=C4)Cl)OC3=O

InChI

InChI=1S/C21H21ClN4O3S/c1-30-11-9-16(20-24-14-4-2-3-5-15(14)25-20)23-19(27)8-10-26-17-7-6-13(22)12-18(17)29-21(26)28/h2-7,12,16H,8-11H2,1H3,(H,23,27)(H,24,25)