N-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide

Systemtic Name: N-[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-[3-(benzylamino)-4-nitro-phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[3-(benzylamino)-4-nitrophenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-[3-(benzylamino)-4-nitro-phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Formula: C23H23N5O3S2 MolecularWeight: 481.59042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N5O3S2/c29-22(21-7-4-14-33-21)25-23(32)27-12-10-26(11-13-27)18-8-9-20(28(30)31)19(15-18)24-16-17-5-2-1-3-6-17/h1-9,14-15,24H,10-13,16H2,(H,25,29,32)