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

Systemtic Name: N,N-dimethyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxamide Openeye Name: 1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-N,N-dimethyl-piperazine-2-carboxamide CAS Name: N,N-dimethyl-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxamide IUPAC Name: N,N-dimethyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxamide Traditional Name: N,N-dimethyl-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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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)N3CCNCC3C(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H30N4O4S/c1-16(2)19-8-6-7-9-22(19)34-23-11-10-18(14-20(23)29(32)33)17(3)24(30)28-13-12-26-15-21(28)25(31)27(4)5/h6-11,14,16,21,26H,3,12-13,15H2,1-2,4-5H3