1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]nonan-1-one

Systemtic Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]nonan-1-one Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]nonan-1-one CAS Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-1-nonanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]nonan-1-one Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]nonan-1-one Formula: C23H34N4OS MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCC(=O)N1CCCN(CC1)C2=NC(=NS2)CC3=CC=CC=C3

InChI

InChI=1S/C23H34N4OS/c1-2-3-4-5-6-10-14-22(28)26-15-11-16-27(18-17-26)23-24-21(25-29-23)19-20-12-8-7-9-13-20/h7-9,12-13H,2-6,10-11,14-19H2,1H3