N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C23H20ClN3O2S MolecularWeight: 437.9418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=CC4=C3C=CC=C4Cl

InChI

InChI=1S/C23H20ClN3O2S/c1-13(2)11-21(28)27-23(30)25-14-9-10-20-19(12-14)26-22(29-20)17-7-3-6-16-15(17)5-4-8-18(16)24/h3-10,12-13H,11H2,1-2H3,(H2,25,27,28,30)