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

Systemtic Name: N,N,1-trimethyl-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxamide Openeye Name: 4-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]-N,N,1-trimethyl-piperazine-2-carboxamide CAS Name: N,N,1-trimethyl-4-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxamide IUPAC Name: N,N,1-trimethyl-4-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxamide Traditional Name: N,N,1-trimethyl-4-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxamide Formula: C26H32N4O4S MolecularWeight: 496.62168

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

InChI

InChI=1S/C26H32N4O4S/c1-17(2)20-9-7-8-10-23(20)35-24-12-11-19(15-21(24)30(33)34)18(3)25(31)29-14-13-28(6)22(16-29)26(32)27(4)5/h7-12,15,17,22H,3,13-14,16H2,1-2,4-6H3