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

Systemtic Name: 3-(acetamidomethylsulfanyl)-2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-[[2,3-bis(chloranyl)phenyl]methyl]-3-methyl-butanamide Openeye Name: 3-(acetamidomethylsulfanyl)-2-[(2-amino-3-sulfanyl-propyl)amino]-N-[(2,3-dichlorophenyl)methyl]-3-methyl-butanamide CAS Name: 3-(acetamidomethylthio)-2-[(2-amino-3-mercaptopropyl)amino]-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-2-[(2-amino-3-sulfanylpropyl)amino]-N-[(2,3-dichlorophenyl)methyl]-3-methylbutanamide Traditional Name: 3-(acetamidomethylthio)-2-[(2-amino-3-mercapto-propyl)amino]-N-(2,3-dichlorobenzyl)-3-methyl-butyramide Formula: C18H28Cl2N4O2S2 MolecularWeight: 467.47652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28Cl2N4O2S2/c1-11(25)24-10-28-18(2,3)16(22-8-13(21)9-27)17(26)23-7-12-5-4-6-14(19)15(12)20/h4-6,13,16,22,27H,7-10,21H2,1-3H3,(H,23,26)(H,24,25)