N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-2-methoxy-aniline

Systemtic Name: N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-2-methoxy-aniline Openeye Name: N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-2-methoxy-aniline CAS Name: N-[[1-[5-(1-azepanyl)-1,3,4-thiadiazol-2-yl]-2-pyrrolyl]methyl]-2-methoxyaniline IUPAC Name: N-[[1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl]-2-methoxyaniline Traditional Name: [1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]pyrrol-2-yl]methyl-(2-methoxyphenyl)amine Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NCC2=CC=CN2C3=NN=C(S3)N4CCCCCC4

Isomeric SMILES

COC1=CC=CC=C1NCC2=CC=CN2C3=NN=C(S3)N4CCCCCC4

InChI

InChI=1S/C20H25N5OS/c1-26-18-11-5-4-10-17(18)21-15-16-9-8-14-25(16)20-23-22-19(27-20)24-12-6-2-3-7-13-24/h4-5,8-11,14,21H,2-3,6-7,12-13,15H2,1H3