N-[4-[[6-azanyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-5-methyl-1-phenyl-hexan-2-yl]sulfanylbenzamide hydrobromide

Systemtic Name: N-[4-[[6-azanyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]carbamoyl]-5-methyl-1-phenyl-hexan-2-yl]sulfanylbenzamide hydrobromide Openeye Name: N-[3-[[5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl]carbamoyl]-1-benzyl-4-methyl-pentyl]sulfanylbenzamide hydrobromide CAS Name: N-[[4-[[[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]amino]-oxomethyl]-5-methyl-1-phenylhexan-2-yl]thio]benzamide hydrobromide IUPAC Name: N-[4-[[6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]carbamoyl]-5-methyl-1-phenylhexan-2-yl]sulfanylbenzamide hydrobromide Traditional Name: N-[[3-[[5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl]carbamoyl]-1-benzyl-4-methyl-pentyl]thio]benzamide hydrobromide Formula: C33H42BrN5O5S MolecularWeight: 700.68608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(CC1=CC=CC=C1)SNC(=O)C2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-].Br

Isomeric SMILES

CC(C)C(CC(CC1=CC=CC=C1)SNC(=O)C2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-].Br

InChI

InChI=1S/C33H41N5O5S.BrH/c1-23(2)29(22-28(21-24-11-5-3-6-12-24)44-37-31(39)25-13-7-4-8-14-25)32(40)36-30(15-9-10-20-34)33(41)35-26-16-18-27(19-17-26)38(42)43;/h3-8,11-14,16-19,23,28-30H,9-10,15,20-22,34H2,1-2H3,(H,35,41)(H,36,40)(H,37,39);1H