N-(3-cyanophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide

Systemtic Name: N-(3-cyanophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide Openeye Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-cyanophenyl)-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-cyanophenyl)-1,4-diazepane-1-carboxamide Formula: C22H22N6OS MolecularWeight: 418.51468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC(=C2)C#N)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC(=C2)C#N)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C22H22N6OS/c23-16-18-8-4-9-19(14-18)24-21(29)27-10-5-11-28(13-12-27)22-25-20(26-30-22)15-17-6-2-1-3-7-17/h1-4,6-9,14H,5,10-13,15H2,(H,24,29)