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

Systemtic Name: phenyl-[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]-phenyl-methanone CAS Name: phenyl-[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]-phenylmethanone Traditional Name: [4-(3-benzyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]-phenyl-methanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2)C3=NC(=NS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-20(18-10-5-2-6-11-18)24-12-7-13-25(15-14-24)21-22-19(23-27-21)16-17-8-3-1-4-9-17/h1-6,8-11H,7,12-16H2