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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]propanamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]propanamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]propanamide Traditional Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]propionamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=CC(=C1C)C2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C18H16ClN3O2S/c1-3-16(23)22-18(25)21-13-6-4-5-12(10(13)2)17-20-14-9-11(19)7-8-15(14)24-17/h4-9H,3H2,1-2H3,(H2,21,22,23,25)