[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H22N4O3S/c27-22(21-7-4-14-30-21)25-12-10-24(11-13-25)18-8-9-20(26(28)29)19(15-18)23-16-17-5-2-1-3-6-17/h1-9,14-15,23H,10-13,16H2