naphthalen-1-yl-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone

Systemtic Name: naphthalen-1-yl-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone Openeye Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(1-naphthyl)methanone CAS Name: 1-naphthalenyl-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]methanone IUPAC Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-naphthalen-1-ylmethanone Traditional Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-(1-naphthyl)methanone Formula: C25H24N4OS MolecularWeight: 428.54926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C4=NC(=NS4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC3=CC=CC=C32)C4=NC(=NS4)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4OS/c30-24(22-13-6-11-20-10-4-5-12-21(20)22)28-14-7-15-29(17-16-28)25-26-23(27-31-25)18-19-8-2-1-3-9-19/h1-6,8-13H,7,14-18H2