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

Systemtic Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazol-3-yl)carbonyl-1,4-diazepan-1-yl]-5-(1,4-diazepan-1-ylcarbonyl)phenyl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[2-[4-[(5-tert-butyl-2-methyl-3-pyrazolyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[1,4-diazepan-1-yl(oxo)methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[2-[4-(5-tert-butyl-2-methylpyrazole-3-carbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[2-[4-(5-tert-butyl-2-methyl-pyrazole-3-carbonyl)-1,4-diazepan-1-yl]-5-(1,4-diazepane-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C30H41N9O3S MolecularWeight: 607.77004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CC(=NN5C)C(C)(C)C

Isomeric SMILES

CC1=C(SN=N1)C(=O)NC2=C(C=CC(=C2)C(=O)N3CCCNCC3)N4CCCN(CC4)C(=O)C5=CC(=NN5C)C(C)(C)C

InChI

InChI=1S/C30H41N9O3S/c1-20-26(43-35-33-20)27(40)32-22-18-21(28(41)38-12-6-10-31-11-15-38)8-9-23(22)37-13-7-14-39(17-16-37)29(42)24-19-25(30(2,3)4)34-36(24)5/h8-9,18-19,31H,6-7,10-17H2,1-5H3,(H,32,40)