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

Systemtic Name: N-[[2-(2-chloranyl-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(2-chloro-4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(2-chloro-4-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]thiophene-2-carboxamide Formula: C20H14ClN3O2S2 MolecularWeight: 427.92706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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