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

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-(4-cyclohexylcarbonylpiperazin-1-yl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-[4-[cyclohexyl(oxo)methyl]-1-piperazinyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclohexanecarbonyl)piperazino]phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C28H39N7O3S MolecularWeight: 553.71936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5CCCCC5

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)NC3CCC(CC3)N)N4CCN(CC4)C(=O)C5CCCCC5

InChI

InChI=1S/C28H39N7O3S/c1-18-25(39-33-32-18)27(37)31-23-17-20(26(36)30-22-10-8-21(29)9-11-22)7-12-24(23)34-13-15-35(16-14-34)28(38)19-5-3-2-4-6-19/h7,12,17,19,21-22H,2-6,8-11,13-16,29H2,1H3,(H,30,36)(H,31,37)