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

Systemtic Name: methyl 2-(dimethylcarbamoyl)-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H32N4O6S MolecularWeight: 540.63118

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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)[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)[N+](=O)[O-]

InChI

InChI=1S/C27H32N4O6S/c1-17(2)20-9-7-8-10-23(20)38-24-12-11-19(15-21(24)31(35)36)18(3)25(32)29-13-14-30(27(34)37-6)22(16-29)26(33)28(4)5/h7-12,15,17,22H,3,13-14,16H2,1-2,4-6H3