[4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazin-2-yl]methyl ethanoate

Systemtic Name: [4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazin-2-yl]methyl ethanoate Openeye Name: [4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazin-2-yl]methyl acetate CAS Name: acetic acid [4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinyl]methyl ester IUPAC Name: [4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazin-2-yl]methyl acetate Traditional Name: acetic acid [4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazin-2-yl]methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

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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)N3CCNC(C3)COC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNC(C3)COC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C25H29N3O5S/c1-16(2)21-7-5-6-8-23(21)34-24-10-9-19(13-22(24)28(31)32)17(3)25(30)27-12-11-26-20(14-27)15-33-18(4)29/h5-10,13,16,20,26H,3,11-12,14-15H2,1-2,4H3