3-(1-benzothiophen-3-ylmethyl)-1-(naphthalen-1-ylmethyl)-1,4-diazepane-2,5-dione

Systemtic Name: 3-(1-benzothiophen-3-ylmethyl)-1-(naphthalen-1-ylmethyl)-1,4-diazepane-2,5-dione Openeye Name: 3-(benzothiophen-3-ylmethyl)-1-(1-naphthylmethyl)-1,4-diazepane-2,5-dione CAS Name: 3-(1-benzothiophen-3-ylmethyl)-1-(1-naphthalenylmethyl)-1,4-diazepane-2,5-dione IUPAC Name: 3-(1-benzothiophen-3-ylmethyl)-1-(naphthalen-1-ylmethyl)-1,4-diazepane-2,5-dione Traditional Name: 3-(benzothiophen-3-ylmethyl)-1-(1-naphthylmethyl)-1,4-diazepane-2,5-quinone Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(NC1=O)CC2=CSC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(C(=O)C(NC1=O)CC2=CSC3=CC=CC=C32)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H22N2O2S/c28-24-12-13-27(15-18-8-5-7-17-6-1-2-9-20(17)18)25(29)22(26-24)14-19-16-30-23-11-4-3-10-21(19)23/h1-11,16,22H,12-15H2,(H,26,28)