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

Systemtic Name: 2-methyl-1-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]carbonylpiperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoyl]piperazino]propan-1-one Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O4S2/c1-12(2)17(24)21-6-8-22(9-7-21)18(25)14-4-5-16(15(10-14)23(26)27)29-19-20-13(3)11-28-19/h4-5,10-12H,6-9H2,1-3H3