tert-butyl 2-(dimethylcarbamoyl)-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 2-(dimethylcarbamoyl)-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 2-(dimethylcarbamoyl)-4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 2-[dimethylamino(oxo)methyl]-4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(dimethylcarbamoyl)-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 2-(dimethylcarbamoyl)-4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H38N4O6S MolecularWeight: 582.71092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(C(C3)C(=O)N(C)C)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCN(C(C3)C(=O)N(C)C)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C30H38N4O6S/c1-19(2)22-11-9-10-12-25(22)41-26-14-13-21(17-23(26)34(38)39)20(3)27(35)32-15-16-33(29(37)40-30(4,5)6)24(18-32)28(36)31(7)8/h9-14,17,19,24H,3,15-16,18H2,1-2,4-8H3