N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide

Systemtic Name: N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C21H16ClN3O2S2 MolecularWeight: 441.95364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C21H16ClN3O2S2/c1-11-8-16-17(9-12(11)2)27-20(24-16)14-10-13(5-6-15(14)22)23-21(28)25-19(26)18-4-3-7-29-18/h3-10H,1-2H3,(H2,23,25,26,28)