1-ethanoyl-N,N-dimethyl-4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxamide

Systemtic Name: 1-ethanoyl-N,N-dimethyl-4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxamide Openeye Name: 1-acetyl-4-[(E)-3-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-N,N-dimethyl-piperazine-2-carboxamide CAS Name: 1-acetyl-N,N-dimethyl-4-[(E)-3-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxamide IUPAC Name: 1-acetyl-N,N-dimethyl-4-[(E)-3-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxamide Traditional Name: 1-acetyl-N,N-dimethyl-4-[(E)-3-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxamide Formula: C27H32N4O5S MolecularWeight: 524.63178

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H32N4O5S/c1-18(2)21-8-6-7-9-24(21)37-25-12-10-20(16-22(25)31(35)36)11-13-26(33)29-14-15-30(19(3)32)23(17-29)27(34)28(4)5/h6-13,16,18,23H,14-15,17H2,1-5H3/b13-11+