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

Systemtic Name: N-methyl-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-methyl-piperazine-2-carboxamide CAS Name: N-methyl-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxamide IUPAC Name: N-methyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxamide Traditional Name: N-methyl-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N4O4S/c1-15(2)18-7-5-6-8-21(18)33-22-10-9-17(13-19(22)28(31)32)16(3)24(30)27-12-11-26-14-20(27)23(29)25-4/h5-10,13,15,20,26H,3,11-12,14H2,1-2,4H3,(H,25,29)