N-(3,5-dimethylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(3,5-dimethylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Formula: C22H25N5OS MolecularWeight: 407.5318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)N2CCCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N5OS/c1-16-13-17(2)15-19(14-16)23-21(28)26-9-6-10-27(12-11-26)22-24-20(25-29-22)18-7-4-3-5-8-18/h3-5,7-8,13-15H,6,9-12H2,1-2H3,(H,23,28)