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

Systemtic Name: N-cyclopropyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-enoyl]piperazine-2-carboxamide Openeye Name: N-cyclopropyl-1-[2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoyl]piperazine-2-carboxamide CAS Name: N-cyclopropyl-1-[2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-1-oxoprop-2-enyl]-2-piperazinecarboxamide IUPAC Name: N-cyclopropyl-1-[2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-enoyl]piperazine-2-carboxamide Traditional Name: N-cyclopropyl-1-[2-[3-nitro-4-(o-cumenylthio)phenyl]acryloyl]piperazine-2-carboxamide Formula: C26H30N4O4S MolecularWeight: 494.6058

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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)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCNCC3C(=O)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O4S/c1-16(2)20-6-4-5-7-23(20)35-24-11-8-18(14-21(24)30(33)34)17(3)26(32)29-13-12-27-15-22(29)25(31)28-19-9-10-19/h4-8,11,14,16,19,22,27H,3,9-10,12-13,15H2,1-2H3,(H,28,31)