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

Systemtic Name: N-[5-(1,4-diazepan-1-ylcarbonyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-yl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[5-[1,4-diazepan-1-yl(oxo)methyl]-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[5-(1,4-diazepane-1-carbonyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[5-(1,4-diazepane-1-carbonyl)-2-(4-nicotinoylpiperazino)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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H30N8O3S/c1-18-23(38-31-30-18)24(35)29-21-16-19(25(36)33-10-3-8-27-9-11-33)5-6-22(21)32-12-14-34(15-13-32)26(37)20-4-2-7-28-17-20/h2,4-7,16-17,27H,3,8-15H2,1H3,(H,29,35)