N-[2-[[7-azanyl-1-(methylamino)-2-oxidanyl-1-oxidanylidene-heptan-3-yl]amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide

Systemtic Name: N-[2-[[7-azanyl-1-(methylamino)-2-oxidanyl-1-oxidanylidene-heptan-3-yl]amino]-2-oxidanylidene-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide Openeye Name: N-[2-[[5-amino-1-[1-hydroxy-2-(methylamino)-2-oxo-ethyl]pentyl]amino]-2-oxo-ethyl]-2-(2-cyanophenyl)sulfanyl-N-methyl-benzamide CAS Name: N-[2-[[7-amino-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]amino]-2-oxoethyl]-2-[(2-cyanophenyl)thio]-N-methylbenzamide IUPAC Name: N-[2-[[7-amino-2-hydroxy-1-(methylamino)-1-oxoheptan-3-yl]amino]-2-oxoethyl]-2-(2-cyanophenyl)sulfanyl-N-methylbenzamide Traditional Name: N-[2-[[5-amino-1-[1-hydroxy-2-keto-2-(methylamino)ethyl]pentyl]amino]-2-keto-ethyl]-2-[(2-cyanophenyl)thio]-N-methyl-benzamide Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(C(CCCCN)NC(=O)CN(C)C(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)O

Isomeric SMILES

CNC(=O)C(C(CCCCN)NC(=O)CN(C)C(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N)O

InChI

InChI=1S/C25H31N5O4S/c1-28-24(33)23(32)19(11-7-8-14-26)29-22(31)16-30(2)25(34)18-10-4-6-13-21(18)35-20-12-5-3-9-17(20)15-27/h3-6,9-10,12-13,19,23,32H,7-8,11,14,16,26H2,1-2H3,(H,28,33)(H,29,31)