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

Systemtic Name: N-naphthalen-1-yl-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-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: N-(1-naphthalenyl)-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-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC(=NS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC3=CC=CC=C32)C4=NC(=NS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H25N5OS/c31-24(26-22-13-6-11-20-10-4-5-12-21(20)22)29-14-7-15-30(17-16-29)25-27-23(28-32-25)18-19-8-2-1-3-9-19/h1-6,8-13H,7,14-18H2,(H,26,31)