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

Systemtic Name: cyclopropyl-[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]-cyclopropyl-methanone CAS Name: cyclopropyl-[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]-cyclopropylmethanone Traditional Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-cyclopropyl-methanone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CC2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CC2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C18H22N4OS/c23-17(15-7-8-15)21-9-4-10-22(12-11-21)18-19-16(20-24-18)13-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2