2-nitro-N-(phenylmethyl)-5-[4-(4-phenyl-5-propyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline

Systemtic Name: 2-nitro-N-(phenylmethyl)-5-[4-(4-phenyl-5-propyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline Openeye Name: N-benzyl-2-nitro-5-[4-(4-phenyl-5-propyl-thiazol-2-yl)piperazin-1-yl]aniline CAS Name: 2-nitro-N-(phenylmethyl)-5-[4-(4-phenyl-5-propyl-2-thiazolyl)-1-piperazinyl]aniline IUPAC Name: N-benzyl-2-nitro-5-[4-(4-phenyl-5-propyl-1,3-thiazol-2-yl)piperazin-1-yl]aniline Traditional Name: benzyl-[2-nitro-5-[4-(4-phenyl-5-propyl-thiazol-2-yl)piperazino]phenyl]amine Formula: C29H31N5O2S MolecularWeight: 513.65374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC1=C(N=C(S1)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2S/c1-2-9-27-28(23-12-7-4-8-13-23)31-29(37-27)33-18-16-32(17-19-33)24-14-15-26(34(35)36)25(20-24)30-21-22-10-5-3-6-11-22/h3-8,10-15,20,30H,2,9,16-19,21H2,1H3