4-[[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]piperazino]methyl]benzonitrile Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S2/c1-16-15-32-23(25-16)33-21-7-6-19(12-20(21)28(30)31)22(29)27-10-8-26(9-11-27)14-18-4-2-17(13-24)3-5-18/h2-7,12,15H,8-11,14H2,1H3