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

Systemtic Name: 4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Openeye Name: 4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-naphthyl)-1,4-diazepane-1-carboxamide CAS Name: 4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-(1-naphthalenyl)-1,4-diazepane-1-carboxamide IUPAC Name: 4-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-naphthalen-1-yl-1,4-diazepane-1-carboxamide Traditional Name: 4-(3-m-anisyl-1,2,4-thiadiazol-5-yl)-N-(1-naphthyl)-1,4-diazepane-1-carboxamide Formula: C26H27N5O2S MolecularWeight: 473.58988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC(=C1)CC2=NSC(=N2)N3CCCN(CC3)C(=O)NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N5O2S/c1-33-21-10-4-7-19(17-21)18-24-28-26(34-29-24)31-14-6-13-30(15-16-31)25(32)27-23-12-5-9-20-8-2-3-11-22(20)23/h2-5,7-12,17H,6,13-16,18H2,1H3,(H,27,32)