N-(1H-imidazol-5-ylmethyl)-4-nitro-N-[4-[4-(propylcarbamothioyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: N-(1H-imidazol-5-ylmethyl)-4-nitro-N-[4-[4-(propylcarbamothioyl)piperazin-1-yl]phenyl]benzamide Openeye Name: N-(1H-imidazol-5-ylmethyl)-4-nitro-N-[4-[4-(propylcarbamothioyl)piperazin-1-yl]phenyl]benzamide CAS Name: N-(1H-imidazol-5-ylmethyl)-4-nitro-N-[4-[4-[propylamino(sulfanylidene)methyl]-1-piperazinyl]phenyl]benzamide IUPAC Name: N-(1H-imidazol-5-ylmethyl)-4-nitro-N-[4-[4-(propylcarbamothioyl)piperazin-1-yl]phenyl]benzamide Traditional Name: N-(1H-imidazol-5-ylmethyl)-4-nitro-N-[4-[4-(propylthiocarbamoyl)piperazino]phenyl]benzamide Formula: C25H29N7O3S MolecularWeight: 507.60786

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)N(CC3=CN=CN3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N7O3S/c1-2-11-27-25(36)30-14-12-29(13-15-30)21-7-9-22(10-8-21)31(17-20-16-26-18-28-20)24(33)19-3-5-23(6-4-19)32(34)35/h3-10,16,18H,2,11-15,17H2,1H3,(H,26,28)(H,27,36)