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

Systemtic Name: N-[[3-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[3-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[3-(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=CC=C1NC(=S)NC(=O)C2=CC=CS2)C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CS2)C3=NC4=C(O3)C=CC(=C4)Cl

InChI

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