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

Systemtic Name: N-[2-[4-(4-cyanophenyl)carbonyl-1,4-diazepan-1-yl]-5-piperazin-1-ylcarbonyl-phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[2-[4-[(4-cyanophenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[2-[4-(4-cyanobenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C28H30N8O3S MolecularWeight: 558.6546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCNCC3)N4CCCN(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)N4CCCN(CC4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H30N8O3S/c1-19-25(40-33-32-19)26(37)31-23-17-22(28(39)36-13-9-30-10-14-36)7-8-24(23)34-11-2-12-35(16-15-34)27(38)21-5-3-20(18-29)4-6-21/h3-8,17,30H,2,9-16H2,1H3,(H,31,37)