(2S)-2-[(3-bromophenyl)carbamothioylamino]-N-propyl-propanamide

Systemtic Name: (2S)-2-[(3-bromophenyl)carbamothioylamino]-N-propyl-propanamide Openeye Name: (2S)-2-[(3-bromophenyl)carbamothioylamino]-N-propyl-propanamide CAS Name: (2S)-2-[[(3-bromoanilino)-sulfanylidenemethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-[(3-bromophenyl)carbamothioylamino]-N-propylpropanamide Traditional Name: (2S)-2-[(3-bromophenyl)thiocarbamoylamino]-N-propyl-propionamide Formula: C13H18BrN3OS MolecularWeight: 344.27052

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=S)NC1=CC(=CC=C1)Br

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=S)NC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H18BrN3OS/c1-3-7-15-12(18)9(2)16-13(19)17-11-6-4-5-10(14)8-11/h4-6,8-9H,3,7H2,1-2H3,(H,15,18)(H2,16,17,19)/t9-/m0/s1