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

Systemtic Name: N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H14ClN3O2S2 MolecularWeight: 427.92706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C20H14ClN3O2S2/c1-11-4-5-12(19-22-15-10-13(21)6-7-16(15)26-19)9-14(11)23-20(27)24-18(25)17-3-2-8-28-17/h2-10H,1H3,(H2,23,24,25,27)