N-(2-bromanyl-4-fluoranyl-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-bromanyl-4-fluoranyl-phenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-benzyl-N-(2-bromo-4-fluoro-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-bromo-4-fluorophenyl)-4-(phenylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-benzyl-N-(2-bromo-4-fluorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-benzyl-N-(2-bromo-4-fluoro-phenyl)-1,4-diazepane-1-carbothioamide Formula: C19H21BrFN3S MolecularWeight: 422.357543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=C(C=C(C=C2)F)Br)CC3=CC=CC=C3

InChI

InChI=1S/C19H21BrFN3S/c20-17-13-16(21)7-8-18(17)22-19(25)24-10-4-9-23(11-12-24)14-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12,14H2,(H,22,25)