3-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-bromo-2-chloro-phenyl)carbamothioylamino]benzamide CAS Name: 3-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-bromo-2-chlorophenyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]benzamide Formula: C21H17BrClN3OS MolecularWeight: 474.80118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)C2=CC(=CC=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C21H17BrClN3OS/c22-16-9-10-19(18(23)12-16)26-21(28)25-17-8-4-7-15(11-17)20(27)24-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,24,27)(H2,25,26,28)