2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-[[2,3-bis(chloranyl)phenyl]methyl]-3-methyl-pentanamide

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-[[2,3-bis(chloranyl)phenyl]methyl]-3-methyl-pentanamide Openeye Name: 2-[(2-amino-3-sulfanyl-propyl)amino]-N-[(2,3-dichlorophenyl)methyl]-3-methyl-pentanamide CAS Name: 2-[(2-amino-3-mercaptopropyl)amino]-N-[(2,3-dichlorophenyl)methyl]-3-methylpentanamide IUPAC Name: 2-[(2-amino-3-sulfanylpropyl)amino]-N-[(2,3-dichlorophenyl)methyl]-3-methylpentanamide Traditional Name: 2-[(2-amino-3-mercapto-propyl)amino]-N-(2,3-dichlorobenzyl)-3-methyl-valeramide Formula: C16H25Cl2N3OS MolecularWeight: 378.3602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=C(C(=CC=C1)Cl)Cl)NCC(CS)N

Isomeric SMILES

CCC(C)C(C(=O)NCC1=C(C(=CC=C1)Cl)Cl)NCC(CS)N

InChI

InChI=1S/C16H25Cl2N3OS/c1-3-10(2)15(20-8-12(19)9-23)16(22)21-7-11-5-4-6-13(17)14(11)18/h4-6,10,12,15,20,23H,3,7-9,19H2,1-2H3,(H,21,22)