N-[5-azanyl-3-azanylidene-2-(methylamino)-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxidanylidene-4-(phenylmethyl)sulfonyl-piperazin-1-yl]ethanamide

Systemtic Name: N-[5-azanyl-3-azanylidene-2-(methylamino)-1-oxidanylidene-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-[2-oxidanylidene-4-(phenylmethyl)sulfonyl-piperazin-1-yl]ethanamide Openeye Name: N-[4-amino-2-imino-1-(methylamino)-1-(thiazole-2-carbonyl)butyl]-2-(4-benzylsulfonyl-2-oxo-piperazin-1-yl)acetamide CAS Name: N-[5-amino-3-imino-2-(methylamino)-1-oxo-1-(2-thiazolyl)pentan-2-yl]-2-[2-oxo-4-(phenylmethyl)sulfonyl-1-piperazinyl]acetamide IUPAC Name: N-[5-amino-3-imino-2-(methylamino)-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-(4-benzylsulfonyl-2-oxopiperazin-1-yl)acetamide Traditional Name: N-[4-amino-2-imino-1-(methylamino)-1-(thiazole-2-carbonyl)butyl]-2-(4-benzylsulfonyl-2-keto-piperazino)acetamide Formula: C22H29N7O5S2 MolecularWeight: 535.63956

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C(=N)CCN)(C(=O)C1=NC=CS1)NC(=O)CN2CCN(CC2=O)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CNC(C(=N)CCN)(C(=O)C1=NC=CS1)NC(=O)CN2CCN(CC2=O)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N7O5S2/c1-25-22(17(24)7-8-23,20(32)21-26-9-12-35-21)27-18(30)13-28-10-11-29(14-19(28)31)36(33,34)15-16-5-3-2-4-6-16/h2-6,9,12,24-25H,7-8,10-11,13-15,23H2,1H3,(H,27,30)