N-(4-bromophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide

Systemtic Name: N-(4-bromophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide Openeye Name: N-(4-bromophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[4-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(4-bromophenyl)propanamide IUPAC Name: N-(4-bromophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide Traditional Name: N-(4-bromophenyl)-2-[[4-(phenylthiocarbamoylamino)phenyl]thio]propionamide Formula: C22H20BrN3OS2 MolecularWeight: 486.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)Br)SC2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3OS2/c1-15(21(27)24-18-9-7-16(23)8-10-18)29-20-13-11-19(12-14-20)26-22(28)25-17-5-3-2-4-6-17/h2-15H,1H3,(H,24,27)(H2,25,26,28)