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

Systemtic Name: N-cyclopropyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide Openeye Name: N-cyclopropyl-1-[2-(3-nitro-4-sulfanyl-phenyl)prop-2-enoyl]piperazine-2-carboxamide CAS Name: N-cyclopropyl-1-[2-(4-mercapto-3-nitrophenyl)-1-oxoprop-2-enyl]-2-piperazinecarboxamide IUPAC Name: N-cyclopropyl-1-[2-(3-nitro-4-sulfanylphenyl)prop-2-enoyl]piperazine-2-carboxamide Traditional Name: N-cyclopropyl-1-[2-(4-mercapto-3-nitro-phenyl)acryloyl]piperazine-2-carboxamide Formula: C17H20N4O4S MolecularWeight: 376.4301

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCNCC2C(=O)NC3CC3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCNCC2C(=O)NC3CC3

InChI

InChI=1S/C17H20N4O4S/c1-10(11-2-5-15(26)13(8-11)21(24)25)17(23)20-7-6-18-9-14(20)16(22)19-12-3-4-12/h2,5,8,12,14,18,26H,1,3-4,6-7,9H2,(H,19,22)