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

Systemtic Name: N-[2-(4-cyclohexylcarbonylpiperazin-1-yl)-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[2-[4-(cyclohexanecarbonyl)piperazino]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C27H37N7O3S MolecularWeight: 539.69278

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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)C5CCCCC5

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C27H37N7O3S/c1-19-24(38-31-30-19)25(35)29-22-18-21(27(37)33-12-5-10-28-11-13-33)8-9-23(22)32-14-16-34(17-15-32)26(36)20-6-3-2-4-7-20/h8-9,18,20,28H,2-7,10-17H2,1H3,(H,29,35)