N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromanyl-benzamide

Systemtic Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromanyl-benzamide Openeye Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromo-benzamide CAS Name: N-[[[4-(1,3-benzothiazol-2-yl)phenyl]methylamino]-sulfanylidenemethyl]-3-bromobenzamide IUPAC Name: N-[[4-(1,3-benzothiazol-2-yl)phenyl]methylcarbamothioyl]-3-bromobenzamide Traditional Name: N-[[4-(1,3-benzothiazol-2-yl)benzyl]thiocarbamoyl]-3-bromo-benzamide Formula: C22H16BrN3OS2 MolecularWeight: 482.41594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16BrN3OS2/c23-17-5-3-4-16(12-17)20(27)26-22(28)24-13-14-8-10-15(11-9-14)21-25-18-6-1-2-7-19(18)29-21/h1-12H,13H2,(H2,24,26,27,28)