N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-4-ylcarbonylpiperazin-1-yl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(pyridin-4-yl)methyl]-1-piperazinyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-isonicotinoylpiperazino)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C26H30N8O3S MolecularWeight: 534.6332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=NC=C5

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5=CC=NC=C5

InChI

InChI=1S/C26H30N8O3S/c1-18-23(38-31-30-18)24(35)29-21-17-20(26(37)33-11-2-7-27-10-12-33)3-4-22(21)32-13-15-34(16-14-32)25(36)19-5-8-28-9-6-19/h3-6,8-9,17,27H,2,7,10-16H2,1H3,(H,29,35)