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

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloranyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloroanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)-3-chloro-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H12ClN3OS3 MolecularWeight: 429.96608

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=S)NC(=O)C4=CC=CS4)Cl

InChI

InChI=1S/C19H12ClN3OS3/c20-13-10-11(21-19(25)23-17(24)16-6-3-9-26-16)7-8-12(13)18-22-14-4-1-2-5-15(14)27-18/h1-10H,(H2,21,23,24,25)