N,N-diethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]carbonyl-piperazine-1-sulfonamide Openeye Name: N,N-diethyl-4-[4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoyl]piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[[4-[(2-methyl-4-thiazolyl)methylthio]phenyl]-oxomethyl]-1-piperazinesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoyl]piperazine-1-sulfonamide Traditional Name: N,N-diethyl-4-[4-[(2-methylthiazol-4-yl)methylthio]benzoyl]piperazine-1-sulfonamide Formula: C20H28N4O3S3 MolecularWeight: 468.65632

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)SCC3=CSC(=N3)C

InChI

InChI=1S/C20H28N4O3S3/c1-4-23(5-2)30(26,27)24-12-10-22(11-13-24)20(25)17-6-8-19(9-7-17)29-15-18-14-28-16(3)21-18/h6-9,14H,4-5,10-13,15H2,1-3H3