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

Systemtic Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]heptan-1-one Openeye Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]heptan-1-one CAS Name: 1-[4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1,4-diazepan-1-yl]-1-heptanone IUPAC Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]heptan-1-one Traditional Name: 1-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]heptan-1-one Formula: C21H30N4OS MolecularWeight: 386.5541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4OS/c1-2-3-4-8-12-20(26)24-13-9-14-25(16-15-24)21-22-19(23-27-21)17-18-10-6-5-7-11-18/h5-7,10-11H,2-4,8-9,12-17H2,1H3