N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonylpiperazin-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazinyl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)piperazin-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)piperazino]-5-(piperazine-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C27H28N8O3S MolecularWeight: 544.62802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H28N8O3S/c1-18-24(39-32-31-18)25(36)30-22-16-21(27(38)34-10-8-29-9-11-34)6-7-23(22)33-12-14-35(15-13-33)26(37)20-4-2-19(17-28)3-5-20/h2-7,16,29H,8-15H2,1H3,(H,30,36)