N-[2-[4-(4-tert-butylphenyl)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-tert-butylphenyl)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-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1,4-diazepan-1-yl]-5-[oxo(1-piperazinyl)methyl]phenyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]-4-methyl-thiadiazole-5-carboxamide Formula: C31H39N7O3S MolecularWeight: 589.75146

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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(C)(C)C

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(C)(C)C

InChI

InChI=1S/C31H39N7O3S/c1-21-27(42-35-34-21)28(39)33-25-20-23(30(41)38-16-12-32-13-17-38)8-11-26(25)36-14-5-15-37(19-18-36)29(40)22-6-9-24(10-7-22)31(2,3)4/h6-11,20,32H,5,12-19H2,1-4H3,(H,33,39)