1,3-benzothiazol-6-yl-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1,3-benzothiazol-6-yl-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: 1,3-benzothiazol-6-yl-(4-benzyl-1,4-diazepan-1-yl)methanone CAS Name: 1,3-benzothiazol-6-yl-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1,3-benzothiazol-6-yl-(4-benzyl-1,4-diazepan-1-yl)methanone Traditional Name: 1,3-benzothiazol-6-yl-(4-benzyl-1,4-diazepan-1-yl)methanone Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3OS/c24-20(17-7-8-18-19(13-17)25-15-21-18)23-10-4-9-22(11-12-23)14-16-5-2-1-3-6-16/h1-3,5-8,13,15H,4,9-12,14H2