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

Systemtic Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromanyl-phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromoanilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromophenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(1,3-benzothiazol-2-yl)-4-bromo-phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C19H12BrN3OS3 MolecularWeight: 474.41708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3OS3/c20-11-7-8-13(22-19(25)23-17(24)16-6-3-9-26-16)12(10-11)18-21-14-4-1-2-5-15(14)27-18/h1-10H,(H2,22,23,24,25)