N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide Openeye Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,4-diphenyl-thiazole-5-carboxamide CAS Name: N-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2,4-diphenyl-5-thiazolecarboxamide IUPAC Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,4-diphenyl-1,3-thiazole-5-carboxamide Traditional Name: N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2,4-diphenyl-thiazole-5-carboxamide Formula: C28H29N4OS+ MolecularWeight: 469.62106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C3=C(N=C(S3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28N4OS/c1-20-19-23(32-17-15-31(2)16-18-32)13-14-24(20)29-27(33)26-25(21-9-5-3-6-10-21)30-28(34-26)22-11-7-4-8-12-22/h3-14,19H,15-18H2,1-2H3,(H,29,33)/p+1