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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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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)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClN3O3S/c1-3-16(23)22-18(26)20-11-5-7-15-13(9-11)21-17(25-15)10-4-6-14(24-2)12(19)8-10/h4-9H,3H2,1-2H3,(H2,20,22,23,26)