4-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-(4-benzyl-1,4-diazepan-1-yl)butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-(4-benzyl-1,4-diazepan-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-(4-benzyl-1,4-diazepan-1-yl)butan-1-one Formula: C23H27N3OS MolecularWeight: 393.54498

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCCC2=NC3=CC=CC=C3S2)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3OS/c27-23(13-6-12-22-24-20-10-4-5-11-21(20)28-22)26-15-7-14-25(16-17-26)18-19-8-2-1-3-9-19/h1-5,8-11H,6-7,12-18H2