2-[(3-bromophenyl)carbamothioylamino]-N-propyl-ethanamide

Systemtic Name: 2-[(3-bromophenyl)carbamothioylamino]-N-propyl-ethanamide Openeye Name: 2-[(3-bromophenyl)carbamothioylamino]-N-propyl-acetamide CAS Name: 2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-N-propylacetamide IUPAC Name: 2-[(3-bromophenyl)carbamothioylamino]-N-propylacetamide Traditional Name: 2-[(3-bromophenyl)thiocarbamoylamino]-N-propyl-acetamide Formula: C12H16BrN3OS MolecularWeight: 330.24394

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=S)NC1=CC(=CC=C1)Br

Isomeric SMILES

CCCNC(=O)CNC(=S)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C12H16BrN3OS/c1-2-6-14-11(17)8-15-12(18)16-10-5-3-4-9(13)7-10/h3-5,7H,2,6,8H2,1H3,(H,14,17)(H2,15,16,18)