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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)Cl

InChI

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