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

Systemtic Name: N-(4-bromophenyl)-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-(4-bromophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-bromophenyl)-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-(4-bromophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(4-bromophenyl)-1,4-diazepane-1-carboxamide Formula: C21H22BrN5OS MolecularWeight: 472.40128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrN5OS/c22-17-7-9-18(10-8-17)23-20(28)26-11-4-12-27(14-13-26)21-24-19(25-29-21)15-16-5-2-1-3-6-16/h1-3,5-10H,4,11-15H2,(H,23,28)