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

Systemtic Name: N-(2-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Openeye Name: N-(2-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-chlorophenyl)-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1,4-diazepane-1-carboxamide Formula: C20H20ClN5OS MolecularWeight: 413.9237

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Cl)C3=NC(=NS3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2Cl)C3=NC(=NS3)C4=CC=CC=C4

InChI

InChI=1S/C20H20ClN5OS/c21-16-9-4-5-10-17(16)22-19(27)25-11-6-12-26(14-13-25)20-23-18(24-28-20)15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,27)