N-[4-[(3-bromophenyl)carbonylcarbamothioylamino]phenyl]-3-chloranyl-benzamide

Systemtic Name: N-[4-[(3-bromophenyl)carbonylcarbamothioylamino]phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[(3-bromobenzoyl)carbamothioylamino]phenyl]-3-chloro-benzamide CAS Name: N-[4-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-chlorobenzamide IUPAC Name: N-[4-[(3-bromobenzoyl)carbamothioylamino]phenyl]-3-chlorobenzamide Traditional Name: N-[4-[(3-bromobenzoyl)thiocarbamoylamino]phenyl]-3-chloro-benzamide Formula: C21H15BrClN3O2S MolecularWeight: 488.7847

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C21H15BrClN3O2S/c22-15-5-1-3-13(11-15)20(28)26-21(29)25-18-9-7-17(8-10-18)24-19(27)14-4-2-6-16(23)12-14/h1-12H,(H,24,27)(H2,25,26,28,29)