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

Systemtic Name: N-(3-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-(3-bromophenyl)-1,4-diazepane-1-carboxamide CAS Name: N-(3-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-(3-bromophenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(3-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(=CC=C2)Br)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

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

InChI

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