N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[4-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-methyl-butyramide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-11(2)9-17(24)23-19(26)21-14-6-3-12(4-7-14)18-22-15-10-13(20)5-8-16(15)25-18/h3-8,10-11H,9H2,1-2H3,(H2,21,23,24,26)