3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-4-(1-thiophen-3-ylethyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-4-(1-thiophen-3-ylethyl)piperazin-4-ium-1-carboxamide Openeye Name: 3-(2-amino-2-oxo-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-4-[1-(3-thienyl)ethyl]piperazin-4-ium-1-carboxamide CAS Name: 3-(2-amino-2-oxoethyl)-4-[2-(1-imidazolyl)-4-pyrimidinyl]-N-phenyl-4-[1-(3-thiophenyl)ethyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 3-(2-amino-2-oxoethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-4-(1-thiophen-3-ylethyl)piperazin-4-ium-1-carboxamide Traditional Name: 3-(2-amino-2-keto-ethyl)-4-(2-imidazol-1-ylpyrimidin-4-yl)-N-phenyl-4-[1-(3-thienyl)ethyl]piperazin-4-ium-1-carboxamide Formula: C26H29N8O2S+ MolecularWeight: 517.62586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=C1)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C1=CSC=C1)[N+]2(CCN(CC2CC(=O)N)C(=O)NC3=CC=CC=C3)C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C26H28N8O2S/c1-19(20-8-14-37-17-20)34(24-7-9-29-25(31-24)33-11-10-28-18-33)13-12-32(16-22(34)15-23(27)35)26(36)30-21-5-3-2-4-6-21/h2-11,14,17-19,22H,12-13,15-16H2,1H3,(H2-,27,30,35,36)/p+1