N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-bromanyl-benzamide

Systemtic Name: N-[(3-azanyl-3-oxidanylidene-propyl)-(phenylmethyl)carbamothioyl]-2-bromanyl-benzamide Openeye Name: N-[(3-amino-3-oxo-propyl)-benzyl-carbamothioyl]-2-bromo-benzamide CAS Name: N-[[(3-amino-3-oxopropyl)-(phenylmethyl)amino]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[(3-amino-3-oxopropyl)-benzylcarbamothioyl]-2-bromobenzamide Traditional Name: N-[(3-amino-3-keto-propyl)-benzyl-thiocarbamoyl]-2-bromo-benzamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN(CCC(=O)N)C(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C18H18BrN3O2S/c19-15-9-5-4-8-14(15)17(24)21-18(25)22(11-10-16(20)23)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H2,20,23)(H,21,24,25)