2-nitro-N-phenyl-3,3-bis(4-phenylpiperazin-1-yl)prop-2-enethioamide

Systemtic Name: 2-nitro-N-phenyl-3,3-bis(4-phenylpiperazin-1-yl)prop-2-enethioamide Openeye Name: 2-nitro-N-phenyl-3,3-bis(4-phenylpiperazin-1-yl)prop-2-enethioamide CAS Name: 2-nitro-N-phenyl-3,3-bis(4-phenyl-1-piperazinyl)-2-propenethioamide IUPAC Name: 2-nitro-N-phenyl-3,3-bis(4-phenylpiperazin-1-yl)prop-2-enethioamide Traditional Name: 2-nitro-N-phenyl-3,3-bis(4-phenylpiperazino)thioacrylamide Formula: C29H32N6O2S MolecularWeight: 528.66838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=C(C(=S)NC3=CC=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=C(C(=S)NC3=CC=CC=C3)[N+](=O)[O-])N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H32N6O2S/c36-35(37)27(28(38)30-24-10-4-1-5-11-24)29(33-20-16-31(17-21-33)25-12-6-2-7-13-25)34-22-18-32(19-23-34)26-14-8-3-9-15-26/h1-15H,16-23H2,(H,30,38)